3-Chloro-2-methylbenzoic acid 3-氯-2-甲基苯甲酸

CAS 7499-08-3 MFCD00053312

化学结构图

7499-08-3
SMILES: Cc1c(Cl)cccc1C(=O)O

化学属性

Mol. FormulaC8H7ClO2
Mol. Weight170.59
Melting Point163-166°C
TSCANo
Density1.422
Boiling Point290.9°C at 760 mmHg

别名和识别编码

Chemical Name3-Chloro-2-methylbenzoic acid
CAS Number7499-08-3
Alfabeta NameCHLOROMETHYLBENZOICACID 32---
MDL NumberMFCD00053312
PubChem Substance ID82010
Reaxys-RN1072826
Beilstein Registry Number1072826
Synonym 3-Chloro-2-methylbenzoic acid {LY} 3-Chloro-2-methylbenzoic acid {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-2-methylbenzoic a
EC Number000-000-0
Chemical Name Translation3-氯-2-甲基苯甲酸
InChIKeyHXGHMCLCSPQMOR-UHFFFAOYSA-N
Wiswesser Line NotationQVR BG F1
LabNetwork Molecule IDLN00173293
InChIInChI=1S/C8H7ClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
Canonical SMILESCC1=C(C(O)=O)C=CC=C1Cl
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分类

  • Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {SA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beil. 9 ,467

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+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
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
Hazard Codes Xi
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
RTECSXU1645000
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 422 mg/kg
TOXIC EFFECTS :
   Behavioral - rigidity (including catalepsy)
   Behavioral - muscle contraction or spasticity
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1020,1968

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 图谱信息:3-氯-2-甲基苯甲酸(7499-08-3)质谱(MS)
  • MOL 文件:7499-08-3.mol
  • Hazard Note:Irritant
  • TCI Shanghai:3-氯-2-甲基苯甲酸 3-Chloro-2-methylbenzoic Acid,>;97.0%(GC)(T)(7499-08-3)
  • Alfa Aesar:3-氯-2-甲基苯甲酸,98% 3-Chloro-2-methylbenzoic acid, 98%(7499-08-3)
  • 3-氯-2-甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C2057 3-氯-2-甲基苯甲酸 3-Chloro-2-methylbenzoic Acid 5G 1280元 2014/06/02 C2057 3-氯-2-甲基苯甲酸 3-Chloro-2-methylbenzoic Acid 1G 416元 2010/05/25 L15773 3-氯-2-甲基苯甲酸, 98% 3-Chloro-2-methylbenzoic acid, 98% 5g 1554元
  • Sigma Aldrich:7499-08-3(sigmaaldrich)

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. C8 - Carboxylic Acids

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