3,4,5-Trichloroaniline 分子结构式
HCID12469

3,4,5-Trichloroaniline

C6H4Cl3N196.5 g/molCAS 634-91-3

IDENTITY

结构与身份

标准SMILES
Nc1cc(Cl)c(Cl)c(Cl)c1
InChIKey
XOGYQVITULCUGU-UHFFFAOYSA-N
分子式
C6H4Cl3N
平均分子量
196.5 g/mol
单同位素质量
194.940932

COMPUTED

结构计算性质

已同步
XLogP
3.3
极性表面积
26 Ų
氢键供体
1
氢键受体
1
可旋转键
0
重原子
10
形式电荷
0
复杂度
108

PROPERTIES

实验与物化性质

来源:PubChem
Kovats Retention Index

1581

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (97.8%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (97.8%): Toxic if inhaled [Danger Acute toxicity, inhalation];H373 (97.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H400 (95.6%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (97.8%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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. 3 (97.8%);Acute Tox. 3 (97.8%);Acute Tox. 3 (97.8%);STOT RE 2 (97.8%);Aquatic Acute 1 (95.6%);Aquatic Chronic 1 (97.8%)

ALIASES

名称与别名

共 35 条
3,4,5-TRICHLOROANILINE634-91-33,4,5-TrichlorobenzenamineCCRIS 2398EINECS 211-218-2Aniline, 3,4,5-trichloro-NSC 115260DTXSID30212811RefChem:90905DTXCID60135302211-218-2InChI=1/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10HXOGYQVITULCUGU-UHFFFAOYSA-NBenzenamine, 3,4,5-trichloro-MFCD00007769NSC1152603,4,5 trichloroaniline3.4.5-Trichloroaniline3,4,5-trichloro-aniline3,4,5-trichlorophenylamine

REACTIONS

参与反应

26
HRID 5854 反应方程式

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05246935

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HRID 204399 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 277276 反应方程式

uspto-grants-2002_03 · 10.6084/m9.figshare.5104873.v1 · US06355680B1

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HRID 289982 反应方程式

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

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HRID 326629 反应方程式

uspto-grants-1993_12 · 10.6084/m9.figshare.5104873.v1 · US05270309

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HRID 421136 反应方程式

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08097759B2

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HRID 619137 反应方程式

uspto-grants-1999_09 · 10.6084/m9.figshare.5104873.v1 · US05958930

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HRID 679185 反应方程式

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

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