2-Fluoro-6-iodobenzonitrile 分子结构式
HCID522722

2-Fluoro-6-iodobenzonitrile

C7H3FIN247.01 g/molCAS 79544-29-9

IDENTITY

结构与身份

标准SMILES
N#Cc1c(F)cccc1I
InChIKey
FAACTMVXBNSPJA-UHFFFAOYSA-N
分子式
C7H3FIN
平均分子量
247.01 g/mol
单同位素质量
246.92942

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

来源:PubChem
GHS Classification

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (10.9%): 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 46 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
Hazard Classes and Categories

Acute Tox. 4 (97.8%);Acute Tox. 4 (97.8%);Skin Irrit. 2 (15.2%);Eye Irrit. 2A (15.2%);Acute Tox. 4 (97.8%);STOT SE 3 (10.9%)

ALIASES

名称与别名

共 30 条
2-Fluoro-6-iodobenzonitrile79544-29-9DTXSID00335046RefChem:87118DTXCID50286135626-160-7FAACTMVXBNSPJA-UHFFFAOYSA-NMFCD000154782-fluoro-6-iodo-benzonitrile2-CYANO-3-FLUORO-1-IODOBENZENEBENZONITRILE, 2-FLUORO-6-IODO-6-fluoro-2-iodobenzenecarbonitrileSCHEMBL4218622-fluoro-6-iodobenzenecarbonitrile2-Fluoro-6-iodobenzonitrile, 97%CCG-45103SBB055289AKOS005254624AB01183AC-4074

REACTIONS

参与反应

46
HRID 110465 反应方程式

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

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HRID 239865 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642776B2

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HRID 239886 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642776B2

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HRID 239889 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642776B2

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HRID 239892 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08642776B2

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HRID 297494 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 320964 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 497602 反应方程式

uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949579B2

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