4-Fluoro-m-toluidine 分子结构式
HCID67981

4-Fluoro-m-toluidine

4-fluoro-3-methylaniline

C7H8FN125.14 g/molCAS 452-69-7

IDENTITY

结构与身份

标准SMILES
Cc1cc(N)ccc1F
InChIKey
NYMDPDNETOLVBS-UHFFFAOYSA-N
分子式
C7H8FN
平均分子量
125.14 g/mol
单同位素质量
125.06407742

COMPUTED

结构计算性质

已同步
XLogP
2.3
极性表面积
26 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
9
形式电荷
0
复杂度
94

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (17%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (17%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (12.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, 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 47 reports by companies from 7 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 (17%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (17%);STOT SE 3 (87.2%);STOT RE 2 (12.8%)

ALIASES

名称与别名

共 44 条
4-Fluoro-m-toluidineEINECS 207-207-7DTXSID30196425NSC 88319RefChem:523311DTXCID40118916207-207-74-Fluoro-3-methylaniline452-69-75-Amino-2-fluorotoluene4-fluoro-3-methylbenzenamine2-Fluoro-5-aminotolueneBenzenamine, 4-fluoro-3-methyl-MFCD000252944-fluoro-3-methyl-aniline4-fluoro-3-methylphenylamineSHJ88XWX75NSC-88319NSC88319m-Toluidine, 4-fluoro-

REACTIONS

参与反应

73
HRID 69801 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822511B2

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HRID 71315 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822685B2

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HRID 76425 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835430B2

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HRID 133764 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07390923B2

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HRID 145783 反应方程式

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

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HRID 166140 反应方程式

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

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HRID 226589 反应方程式

uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557210B2

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HRID 405311 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748597B2

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