HCID79008

3-Bromo-1,1,1-trifluoro-2-propanone

3-bromo-1,1,1-trifluoropropan-2-one

C3H2BrF3O190.95 g/molCAS 431-35-6

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: O=C(CBr)C(F)(F)F
InChIKey: ONZQYZKCUHFORE-UHFFFAOYSA-N
分子式: C3H2BrF3O
平均分子量: 190.95 g/mol
单同位素质量: 189.92411

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 17.1 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 1
重原子: 8
形式电荷: 0
复杂度: 97

GHS

GHS分类

来源：PubChem

GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 5 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.

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Status: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30030

Hazard Classes and Categories

Flam. Liq. 2 (100%)；Skin Corr. 1B (100%)

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Status: Active Update: 06-12-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30030

ALIASES

名称与别名

共 45 条

431-35-6Bromotrifluoroacetone3-Bromo-1,1,1-trifluoro-2-propanone3-Bromo-1,1,1-trifluoropropanone53REV65E853,3,3-trifluorobromoacetoneDTXSID30195690RefChem:121646DTXCID70118181207-071-93-Bromo-1,1,1-trifluoroacetone1-Bromo-3,3,3-trifluoroacetone3-bromo-1,1,1-trifluoropropan-2-oneMFCD00039237C3H2BrF3O2-Propanone, 3-bromo-1,1,1-trifluoro-1-Bromo-3,3,3-trifluoro-2-propanone3-bromo-1,1,1-trifluoro-propan-2-one1,1,1-TRIFLUORO-3-BROMOPROPANONE1,1,1-trifluoro-3-bromoacetone

REACTIONS

参与反应

127 条