2-Bromo-3-fluorobenzonitrile 分子结构式
HCID2783393

2-Bromo-3-fluorobenzonitrile

C7H3BrFN200.01 g/molCAS 425379-16-4

IDENTITY

结构与身份

标准SMILES
N#Cc1cccc(F)c1Br
InChIKey
DBECKESJFGWYFN-UHFFFAOYSA-N
分子式
C7H3BrFN
平均分子量
200.01 g/mol
单同位素质量
198.94329

COMPUTED

结构计算性质

已同步
XLogP
2.4
极性表面积
23.8 Ų
氢键供体
0
氢键受体
2
可旋转键
0
重原子
10
形式电荷
0
复杂度
162

GHS

GHS分类

GHS Classification

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 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

Hazard Classes and Categories

Acute Tox. 4 (66.7%);Acute Tox. 4 (66.7%);Skin Irrit. 2 (66.7%);Eye Irrit. 2A (66.7%);Acute Tox. 4 (66.7%);STOT SE 3 (66.7%)

ALIASES

名称与别名

共 25 条
2-bromo-3-fluorobenzonitrile425379-16-4DTXSID60382632RefChem:257062DTXCID90333657696-566-72-Bromo-3-fluoro-benzonitrileMFCD07368773Benzonitrile, 2-bromo-3-fluoro-Benzonitrile,2-bromo-3-fluoro-2-bromo-3-fluorobenzenecarbonitrileSCHEMBL185325SCHEMBL30151887DBECKESJFGWYFN-UHFFFAOYSA-NSBB064429TD1102AKOS015834903AB32074AC-4027CS-W003386

REACTIONS

相关反应

13
HRID 104600 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 243875 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653263B2

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HRID 586265 反应方程式

uspto-grants-2005_08 · 10.6084/m9.figshare.5104873.v1 · US06936608B2

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HRID 699029 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID 891847 反应方程式

uspto-grants-2006_02 · 10.6084/m9.figshare.5104873.v1 · US07005431B2

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HRID 891867 反应方程式

uspto-grants-2006_02 · 10.6084/m9.figshare.5104873.v1 · US07005431B2

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HRID 1061743 反应方程式

uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06960598B2

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HRID 1167133 反应方程式

uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06617326B2

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