3-Bromo-2-pentanone

HCID 10012249

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 815-48-5
標準SMILES: CCC(Br)C(C)=O
InChIKey: VKJQRFXZZVMMGA-UHFFFAOYSA-N
分子式: C5H9BrO
平均分子量: 165.03 g/mol
単同位体質量: 163.98368

名称と識別子

優先名称: 3-Bromo-2-pentanone
IUPAC: 3-bromopentan-2-one
英語名: 2-Pentanone, 3-bromo-
分子式: C5H9BrO
分子量: 165.03

名称と別名

3-bromo-2-pentanone815-48-5DTXSID70434075RefChem:277363DTXCID903849023-bromopentan-2-one2-Pentanone, 3-bromo-3-bromo-pentan-2-one3-Brom-pentanon-(2)SCHEMBL539353VKJQRFXZZVMMGA-UHFFFAOYSA-NAAA81548

名称をさらに表示

2-Pentanone, 3-bromo-

EN300-366009

データベース識別子

CAS: 815-48-5
PubChem CID: 10012249
DTXSID: DTXSID70434075
EC Number: 876-248-6
Nikkaji: J698.887C

物性

構造計算による物性

XLogP: 1.7
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: 7
形式電荷: 0
複雑度: 70

物理化学的性質

沸点: 53 °C · 53 °C(Press: 14 Torr)
比重(密度): 1.355 · 1.355±0.06 g/cm3(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.