3-(Chloromethyl)-2,5-dimethylthiophene

HCID 12875261

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基本情報

CAS: 766-58-5
標準SMILES: Cc1cc(CCl)c(C)s1
InChIKey: KTESLEPUDPKBQS-UHFFFAOYSA-N
分子式: C7H9ClS
平均分子量: 160.66 g/mol
単同位体質量: 160.01134897

名称と識別子

優先名称: 3-(Chloromethyl)-2,5-dimethylthiophene
IUPAC: 3-(chloromethyl)-2,5-dimethylthiophene
英語名: 3-(chloromethyl)-2,5-dimethylthiophene
分子式: C7H9ClS
分子量: 160.66436

名称と別名

3-(chloromethyl)-2,5-dimethylthiophene766-58-5RefChem:92580820-839-3SCHEMBL6934890SCHEMBL7999187KTESLEPUDPKBQS-UHFFFAOYSA-NDTXSID801296618AAA766582,5-dimethyl-3-chloromethylthiophene3-chloromethyl-2,5-dimethylthiopheneAKOS009247271

名称をさらに表示

3-Chlormethyl-2,5-dimethyl-thiophen

AT17067EN300-55414

データベース識別子

CAS: 766-58-5
PubChem CID: 12875261
DTXSID: DTXSID801296618
EC Number: 820-839-3

物性

構造計算による物性

XLogP: 2.8
極性表面積: 28.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 9
形式電荷: 0
複雑度: 94.9

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.