2,6-Dihydroxy-4-Methylbenzoic Acid 2,6-二羟基-4-甲基苯甲酸

CAS 480-67-1 MFCD00184686

化学结构图

480-67-1
SMILES: Cc1cc(O)c(C(O)=O)c(O)c1

化学属性

Mol. FormulaC8H8O4
Mol. Weight168.15
Melting Point175.5 °C
Boiling Point257.07 °C at 760 mmHg

别名和识别编码

Chemical Name2,6-Dihydroxy-4-Methylbenzoic Acid
CAS Number480-67-1
Alfabeta NameDIHYDROXYMETHYLBENZENECARBOXYLICACID 264---,
MDL NumberMFCD00184686
Synonym 2,6-Dihydroxy-4-methylbenzoic acid {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2,6-Dihydroxy-4-methylbenzoic acid {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2,6-二羟基-4-甲基苯甲酸
Reaxys-RN2096154
PubChem Substance ID87569171
InChIKeyYBZAVRDNSPUMFK-UHFFFAOYSA-N
Wiswesser Line NotationQVR BQ FQ D1
LabNetwork Molecule IDLN00148112
Canonical SMILESCC1=CC(=C(C(=C1)O)C(=O)O)O
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分类

  • {KO} CarboxylicAcids
  • {KO} ArylOHs

安全信息

Warnings IRRITANT
Hazard Codes Xi
RTECSVH3709600
Signal word
GHS Symbol
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 350 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 89,1392,1969

Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
1
H-bond Donors
3
LogP
1

其他信息

  • TCI Shanghai:2,6-二羟基-4-甲基苯甲酸 2,6-Dihydroxy-4-methylbenzoic Acid,>;95.0%(T)(480-67-1)
  • MOL 文件:480-67-1.mol
  • 2,6-二羟基-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 2014/06/02 D2770 2,6-二羟基-4-甲基苯甲酸 2,6-Dihydroxy-4-methylbenzoic Acid 5G 1380元 2014/06/02 D2770 2,6-二羟基-4-甲基苯甲酸 2,6-Dihydroxy-4-methylbenzoic Acid 25G 4050元

系列性分类

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