p-Benzenediol 对苯二酚

CAS 123-31-9 MFCD00002339

化学结构图

123-31-9
SMILES: OC1CCC(O)CC1

化学属性

Mol. FormulaC6H6O2
Mol. Weight110
Boiling Point285
Melting Point171-175
Density1.332
Flash Point165°(329°F)
TSCAYes
Autoignition Point930 °F
Vapor Density3.81 (vs air)
Vapor Pressure1 mmHg ( 132 °C)
Solubility70 G/L (20 ºC)
Stability对光敏感
Danger-Level-
pH-:-
Redox-

别名和识别编码

Chemical Namep-Benzenediol
CAS Number123-31-9
Synonym Hydroquinone {LY} Hydroquinone NCI-C55834 Phiaquin Quinol Tecquinol Usaf ek-356 alpha-hydroquinone benzoquinol beta-Quinol hydroquinone p-Dioxybenzene p-Hydroquinone {} {LY} Hydroquinone {} {} {LY} Hydroquinone {} {} {} {LY} Hydroquinone {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydroquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {L
EC Number204-617-8
Beilstein Registry Number605970
MDL NumberMFCD00002339
Reaxys-RN605970
Merck Number4808
PubChem Substance ID87570618
Chemical Name Translation对苯二酚
Wiswesser Line NotationQR DQ
LabNetwork Molecule IDLN00193505
Canonical SMILESOC1=CC=C(O)C=C1
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分类

  • {SNA} A to C, Arachidonate 12-Lipoxygenase, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Phytochemicals by Plant (Food/Spice/Herb), Vaccinium myrtillus (Bilberry), 生化试剂, 癌症研究, 细胞生物学, 致癌物, 营养研究, 酶、抑制剂和底物
  • {SNA} Pharmacopoeia, Pharmacopoeia A-Z, Pharmacopoeial Vitamins and Supplements, 分析/色谱
  • {SNA} Phytochemicals by Plant (Food/Spice/Herb), Vaccinium myrtillus (Bilberry), 细胞生物学, 营养研究
  • {SNA} Alphabetical, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Arctostaphylos, Certified Re

产品应用

  • 比色法测定磷、镁、铌、铜、硅和砷等。铱的极谱法和容量法测定。杂多酸的还原剂,铜和金的还原剂。检验磷酸盐、钨酸盐、硝酸盐、亚硝酸盐、硒和碲等。

相关文献及参考

  • Forms inclusion compounds (clathrates) with three molecules of hydroquinone held together by H bonds to form a cage in which a single guest molecule can be accommodated. For a review, see: D. D. MacNicol in Inclusion Compounds, Vol. 2, J. L. Atwood et al, Eds., Academic Press, London (1984), p1.
  • Merck: 14,4808 Beilstein:6,836
  • Merck: 14,4808
  • Kari, F.W., et al.: Food Chem. Toxicol., 30, 737 (1992),
  • Woodard, et al.: Fed. Proc., 8, 348 (1949),
  • Widely used as a radical trap to inhibit polymerization and peroxidation reactions.
  • A stable 1:1 complex with hydrazine has been isolated and found to be a useful, safer replacement for anhydrous hydrazine, e.g. in the solid state reaction with esters to give hydrazides: J. Chem. Soc., Chem. Commun., 1531 (1995).
  • Short: II/24B

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H351 Suspected of causing cancer 怀疑致癌
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H318 Causes serious eye damage 严重伤害眼睛
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes
RTECSMX3500000
Precautionary statements
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P352+P333+P313+P362+P364
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P302+P350
Signal word
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Risk Statements
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R50 Very toxic to aquatic organisms 对水生生物极毒
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R22 Harmful if swallowed 吞咽有害
UN Number UN3077
Packing GroupIII
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard Class9
Warnings 危化品目录(2015)
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 256 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   EPASR* United States Environmental Protection Agency, Office of Pesticides
   and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
   Washington, DC 20460)  History unknown.  Volume(issue)/page/year:
   8EHQ-0491-1210

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25750 mg/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Liver - tumors
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NTP-TR-366,1989

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 699 gm/kg/2Y-C
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Liver - tumors
REFERENCE :
   JJCREP Japanese Journal of Cancer Research. (Elsevier Science Pub. BV, POB
   211, 1000 AE Amsterdam, Netherlands)  V.76-    1985-
   Volume(issue)/page/year: 82,1211,1991

TYPE OF TEST            : TD - Toxic dose (other than l

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 26 gm/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   30,737,1992

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Amphibian - frog
DOSE/DURATION           : 190 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBTXAC "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co.,
   1956-59  Volume(issue)/page/year: 1,160,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 245 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - excitement
   Gastrointestinal - nausea or vomiting
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 8,348,1949

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
S

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 480 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv.
   Toxicology of New Industrial Chemical Substances.

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road,
   Eynsham, Oxford OX8 1JJ, UK) V.1- 1986-  Volume(issue)/page/year: 2,235,1987

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 500 umol/L
REFERENCE :
   CRTOEC Chemical Research in Toxicology.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB 57/36, West End Station, Washington, DC
   20037)  V.1-    1988-  Volume(issue)/page/year: 4,151,1991

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 8 gm/kg
REFERENCE :
   JJIND8 JNCI, Journal of the National Cancer Institute.  (Washington, DC)
   V.61-79, 1978-87. For publisher information, see JNCIEQ.
   Volume(issue)/page/year: 74,1283,1985

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 750 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 371,293,1996

TYPE OF TEST            : Mutation in micro

TYPE OF TEST            : Mutation test systems - not otherwise specified
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 120 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 343,157,1995

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Rodent - rabbit Bone marrow
DOSE/DURAT

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5 mg/kg
SEX/DURATION            : female 1 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
   ENDOAO Endocrinology (Baltimore).  (Williams & Wilkins Co., 428 E. Preston
   St., Baltimore, MD 21203) V.1-    1917-  Volume(issue)/page/year:
   57,466,1955

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 667 mg/kg
SEX/DURATION            : female 11 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 41,43,1990

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5100 mg/kg
SEX/DURATION            : male 51 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - prostate, s

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 5100 mg/kg
SEX/DURATION            : male 51 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
   Reproductive - Fertility - male fertility index (e.g. # males impregnating
   female

Restrict -

其他信息

  • 外观性质:白色结晶。
  • 下游产品:对苯二甲醚 --> 精喹禾灵 --> 2-氯嘧啶-4-甲腈 --> 水合氯醛 --> 菊酸甲酯 --> 2-二环己基磷-2,4,6-三异丙基联苯 --> 菊酸乙酯 --> 4-乙酰氧基苯乙烯 --> 7-羟基异黄酮 --> 叔丁基-4-羟基苯甲醚 --> 2,5-二甲氧基苯胺
  • Alfa Aesar:对苯二酚,99% Hydroqu
  • Sigma Aldrich:123-31-9(sigmaaldrich)
  • 用途三:对苯二酚是除草剂喹禾灵、吡氟禾草灵、噻唑禾草灵、噁唑禾草灵、氟吡氯禾灵、乳氟禾草灵的中间体,也是医药和染料中间体。
  • 用途四:对苯二酚主要用作照相的显影剂。对苯二酚及其
  • 用途六:制取黑白显影剂、蒽醌染料、偶氮染料、橡胶防老剂、稳定剂和抗氧剂。用于ICP-AES、AAS、AFS、ICP-MS、离子色谱等。滴定分析用标准溶液。
  • 蒸气压:1 mm Hg ( 132 °C)
  • 防护措施:中等毒性。在动物实验中,反复给予30~50mg/kg剂量可引起急性黄色肝萎缩,除严重损伤肾脏外,并能发生异常的色素沉着。所以,有时用它涂在人体局部可除去雀斑。服用1g对苯二酚能刺激食道而引起耳鸣、恶心、呕吐、腹痛、虚脱。服用5g可致死。此外,长期接触对二苯酚蒸气、粉尘或烟雾可刺激皮肤、粘膜,并
  • 常规方法:用聚乙烯塑料袋包装,每袋5kg,每4袋装一木箱;或用圆木箱内衬塑料袋包装,每桶50kg。贮存于阴凉、干燥处,避免日光曝晒,防潮、防热。按有毒物品规定贮运。
  • 图谱信息:1,4-苯二酚(123-31-9)红外图谱(IR1) 1,4-苯二酚(123-31-9)核磁图( 13 CNMR) 1,4-苯二酚(123-31-9)红外图谱(IR2) 1,4-苯二酚(123-31-9)质谱(MS)
  • 1,4-苯二酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 10011317 对苯二酚;氢醌;1,4-二羟基苯;几奴尼;海得 250g 43元 2011/08/23 K5396001 对苯二酚;氢醌;1,4-二羟基苯;几奴尼;海得 100g 276元 2011/08/23 xp400367 对苯二酚;氢醌;1,4-二羟基苯;几奴尼;海得 5ml 45元
  • 下游产品:对苯二甲醚 --> 精喹禾灵 --> 2-氯嘧啶-4-甲腈 --> 水合氯醛 --> 菊酸甲酯 --> 2-二环己基磷-2,4,6-三异丙基联苯 --> 菊酸乙酯 --> 4-乙酰氧基苯乙烯 --> 7-羟基异黄酮 --> 叔丁基-4-羟基苯甲醚 --> 2,5-二甲氧基苯胺 --> 精吡氟禾草灵 --> 分散橙 30 --> 己酸烯丙酯 --> 4-氯-8-(三氟甲基)喹啉 --> 1-(2,5-二甲氧基苯基)-1,2-丙二酮-2-肟 --> 1,2,4-三甲氧基苯 --> 2,5-二特丁基对苯二酚 --> 甲基丙烯酸羟乙酯 --> 贲亭酸乙酯 --> 吡诺克辛 --> 丙烯酸羟丙酯 --> 1,5-环辛二烯氯化铱二聚体 --> 4-苯氧基苯酚 --> 叔丁基氢醌 --> 固蓝 BB --> 4-氯-2,5-二甲氧基苯胺 --> 3-环丁烯砜 --> 吡氟禾草隆 --> 3-甲基-3-环丁烯砜 --> 2,3-二甲基-1,3-丁二烯 --> 恩布酯 --> 硫酸锰铵 --> 对二乙酰氧基苯 --> 2,5-二羟基苯甲酸 --> 4-[(6-氯-1,3-苯并恶唑-2-基)氧基]苯酚
  • 在空气中露光易变色。其水溶液在空气中能氧化更快。易溶于乙醇和乙醚,溶于14份水,微溶于苯。中等毒,半数致死量(大鼠,经口)320mg/kg。有致癌可能性。
  • 其水溶液在空气中能氧化更快。易溶于乙醇和乙醚,溶于14份水,微溶于苯。中等毒,半数致死量(大鼠,经口)320mg/kg。有致癌可能性。
  • 上游原料:硫酸 --> 铁粉 --> 氨基苯 --> 锌粉 --> 二氧化锰 --> 活性炭 --> 焦亚硫酸钠 --> 邻苯二酚 --> 草酸 --> 苯醌 --> 锰 --> 双酚 A --> 苯胺硫酸盐(2:1)
  • 可燃性危险特性:明火可燃、与氧化剂、氢氧化钠反应; 燃烧释放刺激烟雾

系列性分类