Chloral Hydrate 氯醛水合物

CAS 302-17-0 MFCD00044479

化学结构图

302-17-0
SMILES:

化学属性

Mol. FormulaC2H3Cl3O2
Mol. Weight165.39 g/mol
Density1.424
Melting Point57
Boiling Point96
Solubility660 G/100 ML
Stability对湿度、光和空气敏感
Flash Point16 °C
Appearance 无色单斜片状结晶。熔点53-57℃。溶于水、乙醇和醚。1ml水可溶解水合氯醛:0℃时2.4g;25℃8.3g;40℃14.3g。1g水合氯醛可溶于:1.3ml乙醇,2ml氯仿,1.5ml乙醚。

别名和识别编码

Chemical NameChloral Hydrate
CAS Number302-17-0
PubChem Substance ID57648021
Beilstein Registry Number1698497
MDL NumberMFCD00044479
Synonym 'GROUND JOINT SEPARATIO 1,1,1-Trichloro-2,2-dihydroxyethane 1-乙二醇 2,2,2-Trichlor-1,1-ethandiol 2,2,2-Trichloracetaldehydhydrat 2,2,2-trichloroethane-1,1-diol Amylofene Bi 3411 Chloral Hydrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number206-117-5
Reaxys-RN1698497
Merck Number2071
Chemical Name Translation氯醛水合物
Wiswesser Line NotationQYQXGGG
LabNetwork Molecule IDLN00221595
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分类

  • {S
  • 500 Series Drinking Water Methods, 8000 Series Solidwaste Methods, Analytical Standards, Analytical/Chromatography, EPA, Method 551, Method 8240, Method Specific
  • {SA} Aldehydes, Bioactive Small Molecules,
  • {SNA} Bioactive Small Molecules, C-CH, Cell Biology, Cell Signaling and Neuroscience, Neurobiology, Neuroscience, Pharmacologicals, Sedative/Hypnotics
  • {SNA} Aldehydes, Bioactive Small Molecules, Building Blocks,
  • {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

产品应用

  • 银的检定的测定。有机合成制造三氯乙酸、DDT、催眠药。镀镍光亮剂。

相关文献及参考

  • Short: III/20a
  • Short: III/35E
  • Merck: 14,2071
  • Merck: 14,2071 Beilstein:1(4)3143
  • Short: III/20c

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H332 Harmful if inhaled 吸入有害
  • H315 Causes skin irritation 会刺激皮肤
  • H312 Harmful in contact with skin 皮肤接触有害
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H370 Causes damage to organs 导致器官损伤
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 6.1 F,T T T,F
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310
  • P301+P310+P330
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P307+P311
  • P308+P311
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S25 Avoid contact with eyes 避免眼睛接触;
  • 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;
  • S27 Take off immediately all contaminated clothing 立即脱掉全部污染的衣服;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R11 Highly flammable 非常易燃
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入,皮肤接触及吞食都有毒
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性:吸入,皮肤接触和吞食都会产生十分严重的不可逆危险
RTECSFM8750000
UN Number 2075 2811
Packing GroupIII
Storage condition 密封保存。 充氩保存 0-6°C
Hazard Class6.1
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 960 mg/kg/1W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   BJCAAI British Journal of Cancer.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.1-    1947-  Volume(issue)/page/year:
   9,177,1955

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   CDPRD4 Cancer Detection and Prevention.  (Alan R. Liss, Inc., 41 E. 11th
   St., New York, NY 10003) V.1-    1976-  Volume(issue)/page/year: 9,279,1986

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

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Behavioral - sleep
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 78,340,1943

{haz

TYPE OF TEST            : LDLo - Lowest publish

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Mammal - cattle
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   HBAMAK "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." (Leipzig,
   Ger. Dem. Rep.)  Volume(issue)/page/year: 4,1289,1935

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 530 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 38,65,1980

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 131,171,1928

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Mold - Aspergillus nidulans
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211,

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 2 mg/plate
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   30,9,1980

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 100 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 334,1,1995

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Non-mammalian species
DOSE/DURATION           : 200 ppm
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 41 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 323,81,1994

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Non-mammalian species Cells - not otherwise specified
DOSE/DURATION           : 100 mmol/L
REFERENCE :
   CHROAU Chromosoma.  (Springer-Verlag New York, Inc., Service Center, 44
   Hartz Way, Secaucus, NJ 07094)  V.1-    1939-  Volume(issue)/page/year:
   45,215,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 13 gm/kg
SEX/DURATION            : female 3 week(s) pre-mating  - 3 week(s) post-birth
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - behavioral
REFERENCE :
   NTOTDY Neurobehavioral Toxicology and Teratology.  (Fayetteville, NY) V.3-8,
   1981-86.  For publisher information, see NETEEC. Volume(issue)/page/year:
   6,137,1984

其他信息

  • 急性毒性:口服-大鼠 LD50: 479 毫克/公斤; 口服-小鼠 LD50: 1100 毫克/
  • 用途二:镀锌光亮剂,晶粒细化剂
  • 方法一:将三氯乙醛、对苯二酚、碳酸钠和碳酸钙一起搅拌,加热至90℃。减压蒸馏,收集30℃(5.32-10.64kPa)馏分,得精制三氯乙醛。搅拌下缓缓加入0.182倍量的水,至反应液成粥状,静置结晶。过滤,低温干燥,得水合氯醛。
  • 上游原料:乙醇 --> 氯 --> 碳酸钙 --> 1,4-苯二酚 --> 三氯乙醛
  • 图谱信息:水合氯醛(302-17-0)红外图谱(IR1) 水合氯醛(302-17-0)核磁图( 1 HNMR) 水合氯醛(302-17-0)Raman光谱 水合氯醛(302-17-0)红外图谱(IR2) 水合氯醛(302-17-0)质谱(MS)
  • 用途五:催眠药。DDT的中间体。
  • TCI Shanghai:水合三氯乙醛 Chloral Hydrate,>;99.0%(T)(302-17-0)
  • 用途三:用作农药、医药中间体,也用于制备氯仿、三氯乙醛等
  • 用途四:用于医药用DDT的制备
  • 储运特性:库房低温通风干燥; 防明火, 高温, 与食品原料, 氧化剂分开存放
  • 用途一:用作镀镍中间体,也用作医药和农药中间体
  • MOL 文件:302-17-0.mol
  • 类别:易燃物质
  • 可燃性危险特性:遇热, 明火燃烧; 热分解排出有毒氯化物烟雾
  • 下游产品:三氯乙醛 --> 三氯乙酸 --> 5-甲氧基-3-吲唑羧酸 --> 9-胺-1,2,3,4-四氢盐酸氯酯 --> 替尼达普 --> 5-甲氧基靛红 --> 6-溴靛红 --> 2-氨基-5,6-二氯苯甲酸 --> 依托度酸
  • 用途六:银的检定的测定。有机合成制造三氯乙酸、DDT、催眠药。镀镍光亮剂。
  • Sigma Aldrich:302-17-0(sigmaaldrich)
  • Acros Organics:水合三氯乙醛 Chloral hydrate, 98.50%(302-17-0)
  • 水合氯醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30037517 水合氯醛 250g 45元 2011/08/23 30037527 水合氯醛 250g 39元 2011/04/16 C0073 水合三氯乙醛 Chloral Hydrate 25G 172元
  • 毒性分级:高毒
  • 灭火剂:二氧化碳, 泡沫, 干粉
  • 有芳香刺激性气味。味辛辣而微苦。能溶于水、醇、醚、氯仿、丙酮及甲乙酮,微溶于松节油、石油醚、四氯化碳、苯和甲苯。有刺激性。

系列性分类


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