2-Acetyl-3-Bromothiophene 2-乙酰基-3-溴噻吩

CAS 42877-08-7 MFCD00794287

化学结构图

42877-08-7
SMILES: CC(=O)C1SC=CC=1Br

化学属性

Mol. FormulaC6H5BrOS
Mol. Weight205
Boiling Point102-105
Melting Point28-35
Refractive indexn20/D 1.612
TSCANo
Density1.422

别名和识别编码

Chemical Name2-Acetyl-3-Bromothiophene
CAS Number42877-08-7
Alfabeta NameBROMOTHIENYLETHANONE 1321()------
MDL NumberMFCD00794287
Beilstein Registry Number116973
EC Number250-023-7
Synonym 1-(3-Bromo-2-thienyl)ethanone 1-(3-溴代-2-噻吩)乙酰
PubChem Substance ID24882535
Chemical Name Translation2-乙酰基-3-溴噻吩
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分类

  • {KO} Ketones
  • {KO} ReacBromides
  • {SNA} Building Blocks, C4 to C6, Chemical Synthesis, Halogenated Heterocycles, Heterocyclic Building Blocks, Thiophenes

安全信息

Warnings IRRITANT
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
  • R22 Harmful if swallowed 吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
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；
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
Storage condition Light Sensitive
Signal word Warning
GHS Symbol
WGK Germany3
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。
  • P305+P351+P338
Hazard statements
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
Packing GroupIII

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
1
Rotatable Bonds
1
H-bond Donors
0
LogP
1

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiophenes 噻吩
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Halogenated Heterocycles 卤代杂环
  5. Thiophenes - Halogenated Heterocycles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Thiophenes 噻吩
  5. C4 to C6 - Thiophenes

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