4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine

HCID 22378277

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 6693-07-8
標準SMILES: CSc1nc(Cl)c(F)c(Cl)n1
InChIKey: WFTWCTATXRCZAU-UHFFFAOYSA-N
分子式: C5H3Cl2FN2S
平均分子量: 213.06 g/mol

名称と識別子

優先名称: 4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
IUPAC: 4,6-dichloro-5-fluoro-2-methylsulfanylpyrimidine
英語名: 4,6-dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
分子式: C5H3Cl2FN2S
分子量: 213.06

名称と別名

6693-07-84,6-dichloro-5-fluoro-2-(methylsulfanyl)pyrimidineRefChem:508009818-735-84,6-Dichloro-5-fluoro-2-(methylthio)pyrimidineMFCD169877904,6-dichloro-5-fluoro-2-methylsulfanylpyrimidineC5H3Cl2FN2SSCHEMBL1188874WFTWCTATXRCZAU-UHFFFAOYSA-NSB59302SY143407

名称をさらに表示

Pyrimidine, 4,6-dichloro-5-fluoro-2-(methylthio)-

DB-194875D80066EN300-1076334,6-dichloro-5-fluoro-2-methylsulfanyl-pyrimidineF840463Z1269234411

データベース識別子

CAS: 6693-07-8
PubChem CID: 22378277
EC Number: 818-735-8

物性

構造計算による物性

XLogP: 3.1
極性表面積: 51.1 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 128

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, 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.