5-Chloro-2-Methoxybenzoic Acid 5-氯-2-甲氧基苯甲酸

CAS 3438-16-2 MFCD00017546

化学结构图

3438-16-2
SMILES: COc1ccc(Cl)cc1C(=O)O

化学属性

Mol. FormulaC8H7ClO3
Mol. Weight186.59
Melting Point98-100°C
Density1.422
TSCANo
Boiling Point309.4°C at 760 mmHg

别名和识别编码

Chemical Name5-Chloro-2-Methoxybenzoic Acid
CAS Number3438-16-2
Alfabeta NameCHLOROMETHOXYBENZOICACID 52---
MDL NumberMFCD00017546
Synonym 5-Chloro-2-methoxybenzoic acid {LY} 5-Chloro-2-methoxybenzoic acid {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Chloro-2-methoxybenzoic acid {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87566536
EC Number222-343-7
Beilstein Registry Number1948580
Reaxys-RN1948580
Chemical Name Translation5-氯-2-甲氧基苯甲酸
InChIKeyHULDRQRKKXRXBI-UHFFFAOYSA-N
Canonical SMILESO=C(O)C1=CC(Cl)=CC=C1OC
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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. 10 ,103
  • FT-IR 2 (2), 2682:D / FT-NMR 1 (2), 1109:A / RegBook 1 (2), 1803:H / Structure Index 1 , 288:D:5

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
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；
  • S37 Wear suitable gloves 戴适当手套；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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
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

  • MOL 文件:3438-16-2.mol
  • 用途一:医药中间体。
  • 5-氯-2-甲氧基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1539 5-氯-2-甲氧基苯甲酸 5-Chloro-2-methoxybenzoic Acid 500G 2280元 2014/06/02 C1539 5-氯-2-甲氧基苯甲酸 5-Chloro-2-methoxybenzoic Acid 25G 292元 2010/06/21 SB01454EA 5-氯-2-甲氧基苯甲酸 5-chloro-2-methoxybenzoic acid 10 GR 345元
  • Sigma Aldrich:3438-16-2(sigmaaldrich)
  • 下游产品:5-氯-2-甲氧基苯甲酰氯 --> 4-[2-(5-氯-2-甲氧基苯甲酰氨基)乙基]苯磺酰胺
  • 图谱信息:5-氯-2-甲氧基苯甲酸(3438-16-2)核磁图( 13 CNMR) 5-氯-2-甲氧基苯甲酸(3438-16-2)质谱(MS) 5-氯-2-甲氧基苯甲酸(3438-16-2)核磁图( 1 HNMR)
  • 上游原料:硫酸二甲酯 --> 5-氯代水杨酸
  • Hazard Note:Irritant
  • TCI Shanghai:5-氯-2-甲氧基苯甲酸 5-Chloro-2-methoxybenzoic Acid,>;98.0%(T)(3438-16-2)
  • Acros Organics:5-氯-2-甲氧基苯甲酸 5-Chloro-o-anisicacid,99%(3438-16-2)
  • Alfa Aesar:5-氯-2-甲氧基苯甲酸,99% 5-Chloro-2-methoxybenzoic acid, 99%(3438-16-2)
  • 方法一:水杨酸经氯化、甲基化而得。将水杨酸溶于氯苯中，在日光灯照射下，在55-80℃通氯。氯化结束，冷却，过滤，干燥，得5-氯水杨酸。将其加入氢氧化钠溶液中，搅拌下滴加硫酸二甲酯，并续加氢氧化钠溶液使反应液pH在10-12，保持温度在35℃以下。加毕，于26-35℃保温8h。趁热过滤，滤液用15%盐酸调节pH至2-3，放冷、过滤、洗涤、干燥得5-氯-2-甲氧基苯甲酸。

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
  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

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