HCID2736418

3-Bromo-4-(trifluoromethoxy)aniline

C7H5BrF3NO256.02 g/molCAS 191602-54-7

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IDENTITY

结构与身份

标准 SMILES: Nc1ccc(OC(F)(F)F)c(Br)c1
InChIKey: RAQMUBDHNKQNTD-UHFFFAOYSA-N
分子式: C7H5BrF3NO
平均分子量: 256.02 g/mol
单同位素质量: 254.95066

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 35.3 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 13
形式电荷: 0
复杂度: 176

GHS

GHS 分类

来源：PubChem

GHS Classification

Danger

H301 (85.1%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (12.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (83%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (12.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 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

Hazard Classes and Categories

Acute Tox. 3 (85.1%)；Acute Tox. 4 (12.8%)；Acute Tox. 4 (12.8%)；Skin Irrit. 2 (17%)；Skin Sens. 1 (83%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (12.8%)

ALIASES

名称与别名

共 31 条

3-bromo-4-(trifluoromethoxy)aniline191602-54-7DTXSID40371347RefChem:277414DTXCID10322381635-410-4Benzenamine, 3-bromo-4-(trifluoromethoxy)-3-bromo-4-trifluoromethoxyanilineMFCD001901273-bromo-4-(trifluoromethoxy)benzenamine4-amino-2-bromo(trifluoromethoxy)benzene3-Bromo-4-trifluoromethoxy-phenylamine2-BROMO-4-AMINO-TRIFLUOROMETHOXYBENZENESCHEMBL263489SCHEMBL308780543-bromo-4-trifluoromethoxy aniline3-Bromo-4-trifluoromethoxy-aniline3Bromo-4-(trifluoromethoxy)anilineSBB101658AKOS005064091

REACTIONS