Methyl 5-(chloromethyl)thiophene-3-carboxylate

HCID 12926494

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 34767-77-6
標準SMILES: COC(=O)c1csc(CCl)c1
InChIKey: NKSDIKYUNDQYSA-UHFFFAOYSA-N
分子式: C7H7ClO2S
平均分子量: 190.65 g/mol
単同位体質量: 189.98552814

名称と識別子

優先名称: Methyl 5-(chloromethyl)thiophene-3-carboxylate
IUPAC: methyl 5-(chloromethyl)thiophene-3-carboxylate
英語名: methyl 5-(chloromethyl)thiophene-3-carboxylate
分子式: C7H7ClO2S
分子量: 190.65

名称と別名

methyl 5-(chloromethyl)thiophene-3-carboxylate34767-77-6SCHEMBL2173402NKSDIKYUNDQYSA-UHFFFAOYSA-N3-Thiophenecarboxylic acid, 5-(chloromethyl)-, methyl esterDTXSID101188432JBA76777methyl5-(chloromethyl)thiophene-3-carboxylateEN300-343956methyl 5-(chloromethyl)-3-thiophenecarboxylatemethyl 5-(chloromethyl)-3-thiophene-carboxylate5-chloromethyl-thiophene-3-carboxylic acid methyl ester

データベース識別子

CAS: 34767-77-6
PubChem CID: 12926494
DTXSID: DTXSID101188432
EC Number: 118-318-4

物性

構造計算による物性

XLogP: 1.9
極性表面積: 54.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 151

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.