4-Bromo-5-Methyl-1H-Pyrazole-3-Carboxylic Acid 5-甲基-4-溴-1H-吡唑-3-羧酸

CAS 82231-52-5 MFCD08056671

化学结构图

82231-52-5
SMILES: CC1NN=C(C(O)=O)C=1Br

化学属性

Mol. FormulaC5H5BrN2O2
Mol. Weight205
Melting Point254-256
Density1.422

别名和识别编码

Chemical Name4-Bromo-5-Methyl-1H-Pyrazole-3-Carboxylic Acid
CAS Number82231-52-5
Alfabeta NameBROMOMETHYLPYRAZOLECARBOXYLICACID H4513-------
MDL NumberMFCD08056671
EC Number250-023-7
Beilstein Registry Number2384789
Chemical Name Translation5-甲基-4-溴-1H-吡唑-3-羧酸
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分类

  • {KO} CarboxylicAcids
  • {KO} ReacBromides
  • {KO} AminesSecondaryHeteroNH

安全信息

Warnings IRRITANT
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。

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 Donors
2
H-bond Acceptors
3
Rotatable Bonds
1
LogP
1

系列性分类


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