CAS 885267-15-2 3-(3-Bromophenyl)cyclobutan-1-one (HCID 17750101)

基本情報

CAS: 885267-15-2
標準SMILES: O=C1CC(c2cccc(Br)c2)C1
InChIKey: RLKCJCIUTBLVRJ-UHFFFAOYSA-N
分子式: C10H9BrO
平均分子量: 225.08 g/mol
単同位体質量: 223.98368

名称と識別子

優先名称: 3-(3-Bromophenyl)cyclobutan-1-one
IUPAC: 3-(3-bromophenyl)cyclobutan-1-one
英語名: 3-(3-Bromophenyl)cyclobutanone
分子式: C10H9BrO
分子量: 225.08

名称と別名

885267-15-23-(3-bromophenyl)cyclobutan-1-oneDTXSID80590252RefChem:274107DTXCID70541016828-712-43-(3-BROMOPHENYL)CYCLOBUTANONEMFCD087063403-(3-Bromophenyl)-cyclobutanoneSCHEMBL2795677RLKCJCIUTBLVRJ-UHFFFAOYSA-N3-(3-bromo-phenyl)-cyclobutanone

名称をさらに表示

Cyclobutanone, 3-(3-bromophenyl)-

AKOS015918054AS-43618SY174507DB-077330CS-0060392EN300-43637F603214F8881-7559

データベース識別子

CAS: 885267-15-2
PubChem CID: 17750101
DTXSID: DTXSID80590252
EC Number: 828-712-4

物性

構造計算による物性

XLogP: 2.1
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: 1
重原子数: 12
形式電荷: 0
複雑度: 182

物理化学的性質

沸点: 307.4 · 307.4±42.0 °C(Predicted)
比重(密度): 1.522 · 1.522±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 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.