Benzene, 2-fluoro-4-methyl-1-nitro- 分子结构式
HCID67966

Benzene, 2-fluoro-4-methyl-1-nitro-

2-fluoro-4-methyl-1-nitrobenzene

C7H6FNO2155.13 g/molCAS 446-34-4

IDENTITY

结构与身份

标准SMILES
Cc1ccc([N+](=O)[O-])c(F)c1
InChIKey
WZMOWQCNPFDWPA-UHFFFAOYSA-N
分子式
C7H6FNO2
平均分子量
155.13 g/mol
单同位素质量
155.0382566

COMPUTED

结构计算性质

已同步
XLogP
2.2
极性表面积
45.8 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
11
形式电荷
0
复杂度
157

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (96%): 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 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (98%): 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 50 reports by companies from 9 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 (98%);Acute Tox. 4 (96%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 4 (98%);STOT SE 3 (98%)

USES

用途与制造

来源:PubChem
General Manufacturing Information

Benzene, 2-fluoro-4-methyl-1-nitro-: INACTIVE

ALIASES

名称与别名

共 50 条
3-Fluoro-4-nitrotoluene446-34-42-Fluoro-4-methyl-1-nitrobenzeneBenzene, 2-fluoro-4-methyl-1-nitro-gamma-Cyclodextrin, 2-hydroxypropyl ethersEINECS 207-166-5NSC 25756AI3-52229DTXSID6060002RefChem:562575DTXCID4040343207-166-5MFCD000070535-Methyl-2-nitrofluorobenzene2-fluoro-4-methyl-1-nitro-benzene2-Fluoro-4-methylnitrobenzeneNSC257563-fluoro4-nitrotoluene4-nitro-3-fluorotoluene3-fluoro-4-nitro toluene

REACTIONS

参与反应

171
HRID 33365 反应方程式

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429583B2

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HRID 58170 反应方程式

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09434697B2

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HRID 69856 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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HRID 69857 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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HRID 113371 反应方程式

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

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HRID 131837 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384967B2

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HRID 131861 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384967B2

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HRID 131945 反应方程式

uspto-grants-2008_06 · 10.6084/m9.figshare.5104873.v1 · US07384967B2

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