1-(Bromomethyl)-4-(propane-2-sulfonyl)benzene

HCID 67219758

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 942199-51-1
標準SMILES: CC(C)S(=O)(=O)c1ccc(CBr)cc1
InChIKey: KLIADIYQTGCHJS-UHFFFAOYSA-N
分子式: C10H13BrO2S
平均分子量: 277.18 g/mol
単同位体質量: 275.98196

名称と識別子

優先名称: 1-(Bromomethyl)-4-(propane-2-sulfonyl)benzene
IUPAC: 1-(bromomethyl)-4-propan-2-ylsulfonylbenzene

名称と別名

942199-51-11-(bromomethyl)-4-(propane-2-sulfonyl)benzeneSCHEMBL1941299KLIADIYQTGCHJS-UHFFFAOYSA-NDA-403071-(bromomethyl)-4-(isopropylsulfonyl)benzene1-Bromomethyl-4-(propane-2-sulfonyl)-benzeneEN300-8745415

データベース識別子

CAS: 942199-51-1
PubChem CID: 67219758
EC Number: 186-176-0

物性

構造計算による物性

XLogP: 2.5
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 14
形式電荷: 0
複雑度: 258

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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