4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline 分子结构式
HCID2794785

4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline

4-(4-methyl-1,2,4-triazol-3-yl)aniline

C9H10N4174.2 g/molCAS 690632-18-9

IDENTITY

结构与身份

标准SMILES
Cn1cnnc1-c1ccc(N)cc1
InChIKey
FUZWWFVYRMIXMT-UHFFFAOYSA-N
分子式
C9H10N4
平均分子量
174.2 g/mol
单同位素质量
174.09054634

COMPUTED

结构计算性质

已同步
XLogP
0.4
极性表面积
56.7 Ų
氢键供体
1
氢键受体
3
可旋转键
1
重原子
13
形式电荷
0
复杂度
165

GHS

GHS分类

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): 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 (50%): 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)

Aggregated GHS information provided per 2 reports by companies from 2 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 (100%);Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (50%);STOT SE 3 (100%)

Acute Tox. 3 (100%)

ALIASES

名称与别名

共 29 条
4-(4-methyl-4H-1,2,4-triazol-3-yl)aniline690632-18-9DTXSID90383410RefChem:514379DTXCID60334434109-000-6687-632-64-(4-methyl-1,2,4-triazol-3-yl)anilineBenzenamine,4-(4-methyl-4H-1,2,4-triazol-3-yl)-MFCD062008854-(4-methyl-1,2,4-triazol-3-yl)phenylamine[4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]amineTimTec1_004161SCHEMBL62239Benzenamine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-HMS1545N03ALBB-025614SBB005403STK803105AKOS003375495

REACTIONS

相关反应

8
HRID 40744 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08530480B2

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HRID 92884 反应方程式

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

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HRID 1233714 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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HRID 1473857 反应方程式

uspto-grants-2015_04 · 10.6084/m9.figshare.5104873.v1 · US09018205B2

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HRID 1569772 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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HRID 1746799 反应方程式

uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09150519B2

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HRID 1946821 反应方程式

uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08399448B2

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HRID 2205902 反应方程式

uspto-grants-2016_06 · 10.6084/m9.figshare.5104873.v1 · US09371319B2

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