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结构：Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1
HCID19783156

4-Methyl-2-nitro-1-(trifluoromethyl)benzene

C8H6F3NO2205.13 g/molCAS 154057-13-3
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IDENTITY

结构与身份

标准 SMILES
Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1
InChIKey
OKKXWBAMGISRSR-UHFFFAOYSA-N
分子式
C8H6F3NO2
平均分子量
205.13 g/mol
单同位素质量
205.03506292

COMPUTED

结构计算性质

已同步
XLogP
3
极性表面积
45.8 Ų
氢键供体
0
氢键受体
5
可旋转键
0
重原子
14
形式电荷
0
复杂度
224

GHS

GHS 分类

来源：PubChem
GHS Classification

Warning

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

来源：PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

ALIASES

名称与别名

共 21 条
4-methyl-2-nitro-1-(trifluoromethyl)benzene154057-13-34-Methyl-2-nitrobenzotrifluorideMFCD161401723-Nitro-4-(trifluoromethyl)toluene3-NITRO-4-TRIFLUOROMETHYLTOLUENEU7B3A2N9BYSCHEMBL8002173SCHEMBL275509302-Nitro-4-methylbenzotrifluorideDTXSID50599878CL8834AKOS005258090DS-1178SY110707DB-358395CS-0112320EN300-267276Benzene, 4-methyl-2-nitro-1-(trifluoromethyl)-F078950

REACTIONS

参与反应

2 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂