4-Nitrophenyl isocyanate 异氰酸对硝基苯

CAS 100-28-7 MFCD00007306

化学结构图

100-28-7
SMILES: O=C=Nc1ccc([N+](=O)[O-])cc1

化学属性

Mol. FormulaC7H4N2O3
Mol. Weight164.12
Boiling Point162°C/18mmHg(lit.)
Melting Point56.0 to 60.0 deg-C
Flash Point>110°(230°F)
TSCAYes
Solubility易溶于乙醚、苯。
Density1.32
Stability对湿度敏感

别名和识别编码

Chemical Name4-Nitrophenyl isocyanate
CAS Number100-28-7
Alfabeta NameISOCYANATONITROBENZENE 14---
MDL NumberMFCD00007306
Synonym 异氰酸对硝基苯(酯) 4-Nitrophenylcarbimide AI3-28253 异氰酸对硝基苯; 对硝基苯异氰酸酯 4-Isocyanatonitrobenzene 4-硝基苯基异氰酸酯 4-nitro-phenyl isocyanate benzene,1-isocyanato-4-nitro- ai3-28253 Benzene, 1-isocyanato-4-nitro- 4-Nitrophenyl isocyanate 对硝基苯异氰酸酯 Isocyanic acid, p-nitrophenyl ester 1-ISOCYANATO-4-NITRO-BENZENE 1-Isocyanato-4-nitro-benzene 4-硝基苯异氰酸酯 異氰酸4-硝苯酯 isocyanicacid,p-nitrophenylester 1-isocyanato-4-nitro-benzen TIMTEC-BB SBB006628 PARA-NITROPHENYLISOCYANATE Isocyanic acid, p-nitrophenyl ester P-NITROPHENYL ISOCYANATE 对硝基苯基异氰酸酯 异氰酸-4-硝基苯(酯) 4-Nitrophenylisocyanat 异氰酸对硝基苯 1-Isocyanato-4-nitrobenzene p-Nitrophenyl isocyanate ISOCYANIC ACID 4-NITROPHENYL ESTER 异氰酸4-硝基苯酯 1-Nitro-4-isocyanatobenzene 4-Nitrophenyl 4-NITROPHENYL ISOCYANATE p-Nitrophenyl isocyanate p-Nitrophenylisocyanate 4-Nitrophenyl Isocyanate (contains varying amounts of polymers)
PubChem Substance ID87571518
Beilstein Registry Number12(4)1653
EC Number202-836-3
Reaxys-RN389516
Chemical Name Translation异氰酸对硝基苯
InChIKeyGFNKTLQTQSALEJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00141437
InChIInChI=1S/C7H4N2O3/c10-5-8-6-1-3-7(4-2-6)9(11)12/h1-4H
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; isocyanate; 1fragment
  • {Chemicalbook} 农药中间体: 杀鼠剂中间体
  • {SNA} Building Blocks, Chemical Synthesis, Isocyanates, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: EINECS
  • Short: III/35E
  • Beilstein:12(4)1653

安全信息

Warnings 危化品目录(2015) IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • 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
  • 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。
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P342+P311
  • 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
  • P301+P312+P330
  • P302+P350
  • P337+P313
  • P403+P233
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P302+P352+P332+P313+P362+P364
  • 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。
  • P304+P340+P312
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P305+P351+P338+P337+P313
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302+H332
  • H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSDA3692500
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Signal word Danger
Safety Statements
  • 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；
  • 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）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
  • 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；
Packing GroupIII
UN Number 2206 UN3335 UN2811
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R42 May cause sensitisation by inhalation 吸入会产生过敏反应
  • R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
Storage condition Moisture Sensitive 0-10 0-10°C 2-8°C
Hazard Codes Xn
Hazard Class6.1(b) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 10 mL/kg
TOXIC EFFECTS :
   Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0528342

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Behavioral - ataxia
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0528342

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1600 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle weakness
   Behavioral - ataxia
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0528342

Restrict 危险品

其他信息

  • Acros Organics:异氰酸4-硝基苯酯 4-Nitrophenyl isocyanate, 98%(100-28-7)
  • Sigma Aldrich:100-28-7(sigmaaldrich)
  • MOL 文件:100-28-7.mol
  • Alfa Aesar:4-硝基苯异氰酸酯,97% 4-Nitrophenyl isocyanate, 97%(100-28-7)
  • 异氰酸对硝基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0129 异氰酸4-硝基苯酯 4-Nitrophenyl Isocyanate (contains varying amounts of polymers) 5G 390元 2014/06/02 I0129 异氰酸4-硝基苯酯 4-Nitrophenyl Isocyanate (contains varying amounts of polymers) 25G 1140元 2010/06/21 296700050 异氰酸对硝基苯 4-Nitrophenyl isocyanate 98% 5 GR 353元
  • MSDS 信息:异氰酸对硝基苯(100-28-7).msds
  • 用途二:对硝基苯基异氰酸酯是杀鼠剂灭鼠安、灭鼠优的中间体。
  • F:10-19-21
  • TCI Shanghai:对硝基苯异氰酸酯(含有数量不等的聚合物) 4-Nitrophenyl Isocyanate (contains varying amounts of polymers),>;98.0%(GC)(100-28-7)
  • 外观性质:亮黄色针状结晶。
  • 方法一:其制备方法是以对硝基苯胺为原料，先与氯化氢生成盐酸盐，再通入光气生成产品。
  • 用途一:用于合成医药、农药和高分子材料
  • 敏感性:Moisture Sensitive
  • 上游原料:盐酸 --> 4-硝基苯胺
  • 图谱信息:异氰酸对硝基苯(100-28-7)红外图谱(IR2) 异氰酸对硝基苯(100-28-7)红外图谱(IR1)

系列性分类

  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. Isocyanates - Nitrogen Compounds
  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. Isocyanates - Nitrogen Compounds
  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. Imines/Amidines