2-Bromo-2,4-dimethylpentan-3-one

HCID 222575CAS 3212-63-3

基本情報

標準SMILES: CC(C)C(=O)C(C)(C)Br
InChIKey: PSQRABHKSDZETF-UHFFFAOYSA-N
分子式: C7H13BrO
平均分子量: 193.08 g/mol
単同位体質量: 192.01497714

名称と識別子

優先名称: 2-Bromo-2,4-dimethylpentan-3-one
IUPAC: 2-bromo-2,4-dimethylpentan-3-one

名称と別名

2-bromo-2,4-dimethylpentan-3-one3212-63-3DTXSID90278670RefChem:256942DTXCID10229826872-302-82-Bromo-2,4-dimethyl-pentan-3-one2-bromo-2,4-dimethyl-3-pentanoneNSC9041SCHEMBL6863530PSQRABHKSDZETF-UHFFFAOYSA-NNSC-9041

名称をさらに表示

DS-003933EN300-7627988

データベース識別子

CAS: 3212-63-3
PubChem CID: 222575
DTXSID: DTXSID90278670
EC Number: 872-302-8

物性

構造計算による物性

XLogP: 2.4
極性表面積: 17.1 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: 2
重原子数: 9
形式電荷: 0
複雑度: 116

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.