HCID53216218

5-Bromo-1,2-difluoro-3-nitrobenzene

C6H2BrF2NO2237.99 g/molCAS 1261988-16-2

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=[N+]([O-])c1cc(Br)cc(F)c1F
InChIKey: OUPFVSYTAGACOT-UHFFFAOYSA-N
分子式: C6H2BrF2NO2
平均分子量: 237.99 g/mol
单同位素质量: 236.9237

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 45.8 Å²
氢键供体: 0
氢键受体: 4
可旋转键: 0
重原子: 12
形式电荷: 0
复杂度: 187

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 21 条

5-BROMO-1,2-DIFLUORO-3-NITROBENZENE1261988-16-2DTXSID00681474RefChem:301380DTXCID40632223964-703-25-Bromo-2,3-difluoro-1-nitrobenzeneBenzene, 5-bromo-1,2-difluoro-3-nitro-5-Bromo-2,3-difluoronitrobenzeneMFCD183118215-bromo-1,2-difluoro-3-nitro-benzeneSCHEMBL16005316OUPFVSYTAGACOT-UHFFFAOYSA-NAKOS015834393CS-W006755DS-17145SY116274DB-107350N10664EN300-1723762

REACTIONS

参与反应

1 条

uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09290487B2

查看