CAS 53012-70-7 3-(Bromomethyl)-1,2,5-thiadiazole (HCID 13346880)

基本情報

CAS: 53012-70-7
標準SMILES: BrCc1cnsn1
InChIKey: LJZAHEYFCLYGND-UHFFFAOYSA-N
分子式: C3H3BrN2S
平均分子量: 179.04 g/mol

名称と識別子

優先名称: 3-(Bromomethyl)-1,2,5-thiadiazole
IUPAC: 3-(bromomethyl)-1,2,5-thiadiazole

名称と別名

3-(bromomethyl)-1,2,5-thiadiazole53012-70-7RefChem:494358882-745-93-bromomethyl-1,2,5-thiadiazoleSCHEMBL1929652LJZAHEYFCLYGND-UHFFFAOYSA-N4-bromomethyl-1,2,5-thiadiazoleDCA012703-(bromomethyl)-[1,2,5]thiadiazoleAT12137EN300-93672

データベース識別子

CAS: 53012-70-7
PubChem CID: 13346880
EC Number: 882-745-9

物性

構造計算による物性

XLogP: 1
極性表面積: 54 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: 1
重原子数: 7
形式電荷: 0
複雑度: 60.9

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+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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.