2-Carboxybenzaldehyde 邻醛基苯甲酸

CAS 119-67-5 MFCD00003336

化学结构图

119-67-5
SMILES: O=Cc1ccccc1C(=O)O

化学属性

Mol. FormulaC8H6O3
Mol. Weight150.13
Melting Point94-96°C
Density1.404
Flash Point198°(388°F)
TSCAYes
Solubility可溶
Boiling Point231.65 °C at 760 mmHg

别名和识别编码

Chemical Name2-Carboxybenzaldehyde
CAS Number119-67-5
Alfabeta NameCARBOXYBENZALDEHYDE 2-
MDL NumberMFCD00003336
Synonym 2-Carboxybenzaldehyde {LY} 2-Carboxybenzaldehyde {} {LY} 2-Carboxybenzaldehyde {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenzaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Carboxybenz
PubChem Substance ID8406
Beilstein Registry Number742381
EC Number204-342-3
Reaxys-RN742381
Chemical Name Translation邻醛基苯甲酸
InChIKeyDYNFCHNNOHNJFG-UHFFFAOYSA-N
LabNetwork Molecule IDLN00173335
InChIInChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)
Canonical SMILESO=C(O)C1=CC=CC=C1C=O
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分类

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

相关文献及参考

  • The aldehyde is in equilibrium with the cyclic lactol, which reacts with both alkyl and aryl Grignard reagents to give substituted phthalides: Tetrahedron, 44, 2903 (1988):

安全信息

Warnings IRRITANT
WGK Germany2
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
RTECSTH7015000
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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°
UN Number PG2 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1860 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JANTAJ Journal of Antibiotics.  (Japan Antibiotics Research Assoc., 2-20-8
   Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan)  V.2-5, 1948-52;  V.21- 1968-
   Volume(issue)/page/year: 27,665,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2430 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JANTAJ Journal of Antibiotics.  (Japan Antibiotics Research Assoc., 2-20-8
   Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan)  V.2-5, 1948-52;  V.21- 1968-
   Volume(issue)/page/year: 27,665,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4480 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JANTAJ Journal of Antibiotics.  (Japan Antibiotics Research Assoc., 2-20-8
   Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan)  V.2-5, 1948-52;  V.21- 1968-
   Volume(issue)/page/year: 27,665,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JANTAJ Journal of Antibiotics.  (Japan Antibiotics Research Assoc., 2-20-8
   Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan)  V.2-5, 1948-52;  V.21- 1968-
   Volume(issue)/page/year: 27,665,1974

其他信息

  • MOL 文件:119-67-5.mol
  • 下游产品:2-溴蒽 --> 2-[2-(2-噻吩基)乙基]苯甲酸 --> 2-醛基苯甲酸甲酯
  • Alfa Aesar:2-羧基苯甲醛,98+% 2-Carboxybenzaldehyde, 98+%(119-67-5)
  • MSDS 信息:2-Carboxybenzaldehyde(119-67-5).msds
  • 用途一:用作医药中间体
  • 敏感性:Air Sensitive
  • 方法一:由苯酚经溴化、水解而得。将苯酞加热到140-145℃，通溴反应，控制通入速度，使反应尾气基本上无溴蒸气排出。通溴毕，在120℃通二氧化碳与减压将残留的溴化氢除出。反应物加水，在沸腾水浴内水解0.5h。冷却，析出邻羧基苯甲醛。收率60%。
  • 海关编码:29183000
  • Sigma Aldrich:119-67-5(sigmaaldrich)
  • Hazard Note:Irritant
  • 图谱信息:邻羧基苯甲醛(119-67-5)核磁图( 1 HNMR) 邻羧基苯甲醛(119-67-5)红外图谱(IR2) 邻羧基苯甲醛(119-67-5)红外图谱(IR1) 邻羧基苯甲醛(119-67-5)质谱(MS)
  • 上游原料:苯酞
  • TCI Shanghai:邻醛基苯甲酸 Phthalaldehydic Acid,>;98.0%(T)(119-67-5)
  • 邻羧基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0281 邻甲酰苯甲酸 Phthalaldehydic Acid 500G 2830元 2014/06/02 P0281 邻甲酰苯甲酸 Phthalaldehydic Acid 25G 393元 2010/06/21 152080250 邻羧基苯甲醛 2-Carboxybenzaldehyde 99% 25 GR 331元
  • Acros Organics:2-羧基苯甲醛 2-Carboxybenzaldehyde, 99%(119-67-5)

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. Aldehydes - Carbonyl Compounds
  6. C8 - Aldehydes
  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 aldehyde<including acetal,hemiacetal>
  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. Aldehydes
  6. C7

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