1-Chloro-4-Nitrobenzene 4-硝基氯苯

CAS 100-00-5 MFCD00007285

化学结构图

100-00-5
SMILES: O=[N+]([O-])c1ccc(Cl)cc1

化学属性

Mol. FormulaC6H4ClNO2
Mol. Weight158
Density1.298
Vapor Density5.4 (vs air)
Boiling Point242
Vapor Pressure0.09 mmHg ( 25 °C)
Melting Point80-83
Flash Point127°(260°F)
TSCAYes
Autoignition Point500 °F
Solubility不溶于水，微溶于乙醇、乙醚、二硫化碳。
Stability对湿度敏感

别名和识别编码

Chemical Name1-Chloro-4-Nitrobenzene
CAS Number100-00-5
EC Number202-809-6
Beilstein Registry Number508691
MDL NumberMFCD00007285
Synonym 对氯硝基苯 Nitrochlorobenzene, p- 4-氯硝基苯 4-NITROCHLOROBENZENE 4-硝基氯化苯 p-Nitrochloorbenzeen PNCB 1-Chloor-4-nitrobenzeen 1-Nitro-4-chlorbenzol 1-Nitro-4-chlorobenzene benzene,1-chloro-4-nitro- p-Chloronitro benzene p-Chloronitrobenzol PARA NITROCHLOROBENZENE 4-硝基氯苯 4-Chlornitrobenzol 1-chloro-4-nitro-benzene 1-Chlor-4-nitrobenzen benzene, 1-chloro-4-nitro- 4-Chloro-1-nitrobenzene 4-nitro-1-chlorobenzene 1-氯-4-硝基苯,对氯硝基苯,4-硝基氯苯,4-氯硝基苯,对硝基氯化苯 4-Nitro-1-chlorobenzene 1-氯-4-硝基苯, 98+% p-Nitrochlorobenzene 4-chloro-1-nitroben
PubChem Substance ID87565384
Merck Number2151
Chemical Name Translation4-硝基氯苯
Reaxys-RN508691
Wiswesser Line NotationWNR DG
LabNetwork Molecule IDLN00222132
InChIInChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
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分类

  • {SNA} Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, C, CH, Chemical Class, C
  • {SNA} Additional Standards, Alpha Sort, Analytical Standards, Aromatics, C, Chemical Class, Chloro, Chromatography, Environmental Standards, Food and Cosmetic Component Standards, Halogenated, Nitro Compounds, Organic Pollutant Standards
  • {SNA} Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 本品是重要的有机合成中间体，广泛应用于染料、农药、医药及橡胶工业中。

相关文献及参考

  • Merck:14,2151 Beilstein:5,243
  • Short: II/25D
  • The Cl substituent is activated to nucleophilic substitution by the p-nitro-group, and can be displaced under relatively mild conditions. For displacement by phenoxide, see: Org. Synth. Coll., 2, 445 (1943). For displacement by alkoxide in good yield, in the presence of TBAB or 18-crown-6, see: J. Org. Chem., 48, 3022 (1983).
  • Short: II/27B
  • Merck:14,2151

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
  • 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；
  • 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）；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S1/2 None 上锁保管并避免儿童触及；
  • 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；
  • 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；
Risk Statements
  • R48/20/21/22
  • 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
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R51/53
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P302+P352+P312
  • 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。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P308+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P301+P310
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P302+P350
  • P337+P313
  • P403+P233
  • 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。
  • 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。
  • 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+P352+P312+P361+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338+P337+P313
  • P308+P311
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P301+P310+P330
Hazard statements
  • H301+H311+H331
  • H302+H312
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • H351 Suspected of causing cancer 怀疑致癌
  • H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
  • H373 May causes damage to organs through prolonged or repeated exposure 长期或频繁接触可能会损伤器官
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSCZ1050000
Packing GroupII
UN Number UN1578
Hazard Codes T,N
Storage condition 密封保存。
Hazard Class6.1
Warnings 危化品目录(2015) 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 194 gm/kg/78W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Vascular - tumors
   Liver - tumors
REFERENCE :
   JEPTDQ Journal of Environmental Pathology and Toxicology.  (Park Forest
   South, IL)  V.1-5(3), 1977-81(?).  For publisher information, see JEPOEC.
   Volume(issue)/page/year: 2(2),325,1978

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 390 gm/kg/78W-C
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Vascular - tumors
   Liver - tumors
REFERENCE :
   JEPTDQ Journal of Environmental Pathology and Toxicology.  (Park Forest
   South, IL)  V.1-5(3), 1977-81(?).  For publisher information, see JEPOEC.
   Volume(issue)/page/year: 2(2),325,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 420 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Liver - fatty liver degeneration
   Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
   AGGHAR Archiv fuer Gewerbepathologie und Gewerbehygiene.  (Berlin, Ger.)
   V.1-18, 1930-61.  For publisher information, see IAEHDW.
   Volume(issue)/page/year: 17,217,1959

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 25 ppm/7H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IMSUAI Industrial Medicine and Surgery.  (Northbrook, IL)  V.18-42, 1949-73.
    For publisher information, see IOHSA5.  Volume(issue)/page/year:
   19,317,1950

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 420 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - ataxia
   Blood - methemoglobinemia-carboxyhemoglobin
REFERENCE :
   AGGHAR Archiv fuer Gewerbepathologie und Gewerbehygiene.  (Berlin, Ger.)
   V.1-18, 1930-61.  For

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 16100 mg/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85INA8 "Documentation of the Threshold Limit Values and Biological Exposure
   Indices," 5th ed., Cincinnati, OH, American Conference of Governmental
   Industrial Hygienists, Inc., 1986  Volume(issue)/page/year: 6,1100,1991

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 819 ug/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 116,217,1983

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 600 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   10(Suppl 10),1,1987

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 5 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 131,215,1984

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5(Suppl
   1),3,1983

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 60 mg/kg
REFERENCE :
   BSIBAC Bolletino della Societe Italiana di Biologia Sperimentale.  (Casa
   Editrice Idelson, Via A. de Gasperi, 55, 80133 Naples, Italy)  V.2- 1927- 
   Volume(issue)/page/year: 56,1680,1980

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 250 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    19

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 24 ppm/6H
SEX/DURATION            : male 13 week(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   NTPTR* National Toxicology Program Technical Report Series.  (Research
   Triangle Park, NC 27709) No.206-  Volume(issue)/page/year: NIH-93-3382

Restrict 危险品

其他信息

  • Hazard Note:Very Toxic
  • 下游产品:氟哌酸 --> 阿苯达唑 --> 对氨基二苯胺 --> 2-氨基-5-氯二苯甲酮 --> 1-(4-异氰基苯基)-4-甲基哌嗪 --> 3,4-二氯苯胺 --> 对乙氧基苯胺 --> 4-硝基苯酚钠 --> 莎稗磷 --> 3-硝基氯苯 --> 4-(4-甲基哌嗪)苯胺 --> 敌稗 --> 敌草隆 --> 1-甲基-4-(4-硝基苯基)哌嗪 --> 对氟硝基苯 --> 地莫西泮 --> 3,4-二氯硝基苯 --> 对硝基二苯醚 --> 伊曲康唑 --> 对硝基氯苯邻磺酸 --> 磺胺脒 --> 2-氯-5-硝基苯磺酸钠 --> 4-氟苯酚 --> 蓝色基 RT --> 艾司唑仑 --> 4-硝基苯乙醚 --> 凡拉明蓝盐B --> 1-乙酰基-4-(4-羟基苯基)哌嗪 --> 二苯胺-4-重氮盐 --> 分散兰 301 --> 2,4-二氯-4’-硝基二苯醚 --> 5-氯-3-苯基苯并-2,1-异噁唑 --> 4-硝基苯甲醚 --> 对硝基苯硫醚 --> 阿普唑仑 --
  • 灭火剂:二氧化碳、泡沫、水。
  • 用途二:是制造偶氮染料及硫化染料、药物非那西丁及扑热息痛、农药除草醚等的重要中间体，也是橡胶防老剂4010的原料
  • 用途三:制备染料（偶氮染料、硫化染料）、医药（非那西丁、扑热息痛）、农药（除草醚）的重
  • 方法一:将硝酸、硫酸配成混酸后，与氯苯进行硝化反应，生成硝基氯苯（对位65%、邻位34%、间位1%），然后分离硝基氯苯和废酸。分离后硝基氯苯经水洗、中和、得中性硝基氯苯，再经干燥、结晶。分离出成品对硝基氯苯，共融油经精馏、脱焦、结晶得联产品邻硝基氯苯。
  • 类别:有毒物品
  • 4-硝基氯苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80034781 4-氯硝基苯 100g 166元 2011/08/23 80034726 4-氯硝基苯 100g 51元 2011/08/23 80034780 4-氯硝基苯 100g 63元
  • Alfa Aesa
  • 职业标准:TWA 1 毫克/立方米; STEL 3 毫克/立方米
  • Acros Organics:对硝基氯苯 1-Chloro-4-nitrobenzene, 99%(100-00-5)
  • 图谱信息:4-硝基氯苯(100-00-5)Raman光谱 4-硝基氯苯(100-00-5)红外图谱(IR3) 4-硝基氯苯(100-00-5)核磁图( 1 HNMR) 4-硝基氯苯(100-00-5)红外图谱(IR2)
  • 海关编码:29049085
  • 蒸气压:0.09 mm Hg ( 25 °C)
  • 急性毒性:口服-大鼠 LD50: 420 毫克/公斤; 口服-小鼠 LD50: 440 毫克/公斤
  • {Che
  • Sigma Aldrich:100-00-5(sigmaaldrich)
  • 易溶于沸乙醇、乙醚和二硫化碳，微溶于冷乙醇，不溶于水。中等毒，半数致死量(大鼠，经口)420mg/kg。有刺激性。易燃。
  • 防护措施:剧毒。经皮肤吸收或吸入其蒸气均可引起中毒，尤其与乙醇共同使用时
  • MSDS 信息:4-硝基氯化苯(100-00-5).msds
  • 用途一:用于有机合成，也用作染料中间体
  • 上游原料:氢氧化钠 --> 硫酸 --> 硝酸 --> 氯苯 --> 邻氯硝基苯
  • Alfa Aesar:1-氯-4-硝基苯,98+% 1-Chloro-4-nitrobenzene, 98+%(100-00-5)
  • 常规方法:采取铁桶密封包装，每桶净重200或250kg。贮存于阴凉、通风处。贮运中要防火、防晒、防潮。按有毒化学品规定贮运。
  • 储运特性:库房通风低温干燥; 与氧化剂、食品添加剂分开存放
  • TCI Shanghai:4-氯硝基苯 4-Chloronitrobenzene,>;98.0%(G

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Aromatics - Chemical Class
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Nitro Compounds 硝基化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. C - Alphabetic
  5. CH - C
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Isocyanides

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