4-Chloro-3-nitrobenzoic acid 4-氯-3-硝基苯甲酸

CAS 96-99-1 MFCD00007079

化学结构图

96-99-1
SMILES: O=C(O)c1ccc(Cl)c([N+](=O)[O-])c1

化学属性

Mol. FormulaC7H4ClNO4
Mol. Weight201.56
Density1.645
Melting Point180-183°C
TSCAYes
Appearance 浅黄色结晶性粉末。熔点181-182℃（183℃），相对密度（18/4℃）1.645。易溶于热水，溶于醇。
Boiling Point371.6±27.0 °C at 760 mmHg

别名和识别编码

Chemical Name4-Chloro-3-nitrobenzoic acid
CAS Number96-99-1
Alfabeta NameCHLORONITROBENZOICACID 43---
MDL NumberMFCD00007079
EC Number202-550-9
Beilstein Registry Number783626
Synonym 4-Chloro-3-nitrobenzoic acid {LY} 4-Chloro-3-nitrobenzoic acid {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitrobenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-3-nitro
PubChem Substance ID7320
Chemical Name Translation4-氯-3-硝基苯甲酸
Reaxys-RN783626
Wiswesser Line NotationWNR BG EVQ
LabNetwork Molecule IDLN00173679
InChIInChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
Canonical SMILESO=C(O)C1=CC=C(Cl)C([N+]([O-])=O)=C1
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分类

  • {SNA} Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment

产品应用

  • 有机合成中间体,用于染料和医药生产,化工产品起始原料。

相关文献及参考

  • Short: EINECS
  • Short: III/5a
  • Short: III/20b
  • Beilstein:9,402

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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；
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
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。
  • 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。
  • 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
  • P305+P351+P338+P337+P313
  • 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.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H303 May be harmfully swallowed 吞食可能有害
RTECSDG5425050
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3150 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,577,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Bird - wild bird species
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   21,315,1972

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 500 ug/plate
REFERENCE :
   SAIGBL Sangyo Igaku.  Japanese Journal of Industrial Health.  (Nippon Sangyo
   Eisei Igakkai, Kosu Eisei Bldg., 1-29-8, Shinjuku, Shinjuku-ku, Tokyo 160,
   Japan)  V.1-    1959-  Volume(issue)/page/year: 29,34,1987

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 {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 用途二:有机合成中间体，用于染料和医药的生产制造药物甲基咪唑。
  • 毒性分级:中毒
  • 用途一:用作医药中间体
  • 下游产品:N-甲基咪唑 --> 甲苯达唑
  • 4-氯-3-硝基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0223 4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic Acid 500G 881元 2014/06/02 C0223 4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic Acid 25G 144元 2010/06/21 109675000 4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic acid 99.5% 500 GR 1137元
  • Acros Organics:4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic acid, 99.5%(96-99-1)
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • 用途三:有机合成中间体,用于染料和医药生产,化工产品起始原料。
  • 图谱信息:4-氯-3-硝基苯甲酸(96-99-1)核磁图( 1 HNMR) 4-氯-3-硝基苯甲酸(96-99-1)Raman光谱 4-氯-3-硝基苯甲酸(96-99-1)质谱(MS) 4-氯-3-硝基苯甲酸(96-99-1)红外图谱(IR1) 4-氯-3-硝基苯甲酸(96-99-1)红外图谱(IR2)
  • TCI Shanghai:4-氯-3-硝基苯甲酸 4-Chloro-3-nitrobenzoic Acid,>;98.0%(T)(96-99-1)
  • 方法一:由对氯苯甲酸经硝化而得。硝化操作可有几种方法。（1）将对氯苯甲酸、硫酸分批加入工业盐酸中，加完后在50-65℃下保温反应5h，放置过夜。然后将硝化物倒入冰水中，滤干、水洗得粗品。再用乙醇溶解、脱色、过滤后，在蒸馏水中析出结晶，干燥即得成品。（2）对氯苯甲酸在摩尔配比过量15倍的浓硝酸中硝化，在20℃以下反应6h。收率为90%。（3）用二氯甲烷作溶剂，在其沸点温度下用混酸进行硝化，收率为97%以上。另外，由对氯三氯甲苯经下列反应也可得到该品。在55-60℃下硝化反应15min，收率92%。
  • 海关编码:29163900
  • 类别:有毒物质
  • Sigma Aldrich:96-99-1(sigmaaldrich)
  • Alfa Aesar:4-氯-3-硝基苯甲酸,99% 4-Chloro-3-nitrobenzoic acid, 99%(96-99-1)
  • 不溶于水，微溶于热水。
  • 储运特性:库房低温, 通风, 干燥
  • 可燃性危险特性:可燃, 燃烧时分解有毒氯化物, 氮氧化物气体
  • 上游原料:硫酸 --> 二氯甲烷 --> 硝酸 --> 工业盐酸 --> 硝化物 --> 对氯苯甲酸 --> 4-氯三氯甲苯
  • MSDS 信息:4-Chloro-3-nitrobenzoic acid(96-99-1).msds
  • 急性毒性:口服-大鼠 LD50： 3150 毫克/公斤
  • MOL 文件:96-99-1.mol

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. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids - Carbonyl Compounds
  6. C7 - Carboxylic Acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic acids
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Carboxylic Acids
  6. C6

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