结构:N#Cc1ccc(I)cc1C(F)(F)F
HCID16218337

4-Iodo-2-(trifluoromethyl)benzonitrile

C8H3F3IN297.02 g/molCAS 101066-87-9

IDENTITY

结构与身份

标准 SMILES
N#Cc1ccc(I)cc1C(F)(F)F
InChIKey
RBRTXKYFMXVIER-UHFFFAOYSA-N
分子式
C8H3F3IN
平均分子量
297.02 g/mol
单同位素质量
296.92623

COMPUTED

结构计算性质

已同步
XLogP
3.2
极性表面积
23.8 Ų
氢键供体
0
氢键受体
4
可旋转键
0
重原子
13
形式电荷
0
复杂度
229

GHS

GHS 分类

来源:PubChem
GHS Classification

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (95.1%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (95.1%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.1%): 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 41 reports by companies from 4 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 (95.1%);Acute Tox. 4 (95.1%);Skin Irrit. 2 (97.6%);Eye Irrit. 2 (97.6%);Acute Tox. 4 (95.1%);STOT SE 3 (95.1%)

ALIASES

名称与别名

24
4-Iodo-2-(trifluoromethyl)benzonitrile101066-87-9DTXSID10584886RefChem:293510DTXCID10535651625-680-12-Cyano-5-iodobenzotrifluoridebenzonitrile, 4-iodo-2-(trifluoromethyl)-MFCD084580914-Cyano-3-(trifluoromethyl)iodobenzene4-iodo-2-(trifluoromethyl)benzenecarbonitrileSCHEMBL16433782-trifluoromethyl-4-iodobenzonitrile4-iodo-2-trifluoromethylbenzonitrileSBB055284AKOS005063983AC-4099CS-W008365PS-71524-iodo-2-(trifluoromethyl) benzonitrile

REACTIONS

参与反应

42
HRID93643

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

作为反应物
HRID 93643 方程式

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

查看条件与参与物
HRID114541

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

作为反应物
HRID 114541 方程式

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

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HRID152830

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 152830 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID169763

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 169763 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID667533

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

作为反应物
HRID 667533 方程式

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

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HRID682797

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

作为反应物
HRID 682797 方程式

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

查看条件与参与物