Methyl 4-Amino-2-hydroxybenzoate 2-羟基-4-氨基苯甲酸甲酯

CAS 4136-97-4 MFCD00088091

化学结构图

4136-97-4
SMILES: COC(=O)c1ccc(N)cc1O

化学属性

Mol. FormulaC8H9NO3
Mol. Weight167.16
Melting Point124-125°C
TSCANo
Boiling Point329.5°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 4-Amino-2-hydroxybenzoate
CAS Number4136-97-4
Alfabeta NameMETHYLAMINOHYDROXYBENZENECARBOXYLATE 42---
MDL NumberMFCD00088091
Synonym Methyl 4-amino-2-hydroxybenzoate {LY} Methyl 4-amino-2-hydroxybenzoate {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-2-hydroxybenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-amino-2-hyd
EC Number223-958-3
Chemical Name Translation2-羟基-4-氨基苯甲酸甲酯
Reaxys-RN972631
InChIKeyQQOXBFUTRLDXDP-UHFFFAOYSA-N
PubChem Substance ID77787
Wiswesser Line NotationZR CQ DVO1
Beilstein Registry Number0972631
LabNetwork Molecule IDLN00146915
InChIInChI=1S/C8H9NO3/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4,10H,9H2,1H3
Canonical SMILESC1=CC(=CC(=C1C(OC)=O)O)N
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分类

  • {KO} ArylOHs
  • {KO} Esters
  • {KO} Anilines

安全信息

Warnings IRRITANT
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;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
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
  • R22 Harmful if swallowed 吞咽有害
RTECSVO1683000
Signal word
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
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P312
  • 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。
  • P317
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • 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.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
GHS Symbol
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ZENBAX Zeitschrift fuer Naturforschung, Teil B: Anorganische Chemie,
   Organische Chemie, Biochemie, Biophysik, Biologie.  (Tuebingen, Fed. Rep.
   Ger.)  V.2B-27B, 1947-1972.  For publisher information, see ZNCBDA.
   Volume(issue)/page/year: 6B,183,1951

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
2
H-bond Donors
2
LogP
7.091000000000000e-001

其他信息

  • MOL 文件:4136-97-4.mol
  • 邻羟基对氨基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 45520 Methyl 4-aminosalicylate, 97% 500g 9744元 2010/05/25 45520 Methyl 4-aminosalicylate, 97% 100g 2478元
  • 下游产品:4-乙酰氨基-2-甲氧基苯甲酸甲酯 --> N-[(2-二乙氨基)乙基]-4-氨基-2-甲氧基-5-氯-苯甲酰胺 --> 对乙酰氨基-邻甲氧基苯甲酸甲酯
  • Alfa Aesar:Methyl 4-aminosalicylate, 97%(4136-97-4)

系列性分类


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