3-Chloro-4-methylbenzoic acid 3-氯-4-甲基苯甲酸

CAS 5162-82-3 MFCD00045841

化学结构图

5162-82-3
SMILES: Cc1ccc(C(=O)O)cc1Cl

化学属性

Mol. FormulaC8H7ClO2
Mol. Weight170.59
Melting Point208°C
TSCANo
Boiling Point105-107 °C at 6.5 mmHg

别名和识别编码

Chemical Name3-Chloro-4-methylbenzoic acid
CAS Number5162-82-3
Alfabeta NameCHLOROMETHYLBENZOICACID 34---
MDL NumberMFCD00045841
Synonym 3-Chloro-p-toluic acid {LY} 3-Chloro-p-toluic acid {} {LY} 3-Chloro-p-toluic acid {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-p-toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloro-p
Reaxys-RN1936498
Beilstein Registry Number9(4)1743
PubChem Substance ID78840
Chemical Name Translation3-氯-4-甲基苯甲酸
InChIKeySDKUOEOJAXGCLU-UHFFFAOYSA-N
Wiswesser Line NotationQVR CG D1
LabNetwork Molecule IDLN00116500
InChIInChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11)
Canonical SMILESCC1=C(Cl)C=C(C(O)=O)C=C1
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分类

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

相关文献及参考

安全信息

Warnings IRRITANT
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
  • S39 Wear eye/face protection 戴眼睛/面孔保护装置;
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
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R51 Toxic to aquatic organisms 对水生生物有毒
  • R22 Harmful if swallowed 吞咽有害
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
Hazard Codes Xn Xi
RTECSXU1650000
Signal word Danger
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
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。
  • P264+P265
  • 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。
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 208 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PMDCAY Progress in Medical Chemistry.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1961- Volume(issue)/page/year:
   5,59,1967

WGK Germany3
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

  • 3-氯-4-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 2010/06/21 TL00693DA 3-氯-4-甲基苯甲酸 3-chloro-4-methylbenzoic acid 1 GR 255元 2010/06/21 TL00693EA 3-氯-4-甲基苯甲酸 3-chloro-4-methylbenzoic acid 10 GR 1650元 2010/06/21 TL00693DE 3-氯-4-甲基苯甲酸 3-chloro-4-methylbenzoic acid 5 GR 1020元
  • Alfa Aesar:3-氯-4-甲基苯甲酸,97% 3-Chloro-4-methylbenzoic acid, 97%(5162-82-3)
  • MOL 文件:5162-82-3.mol
  • Hazard Note:Irritant
  • Acros Organics:3-chloro-4-methylbenzoic acid(5162-82-3)

系列性分类