578568
2-氯-4-(三氟甲基)苯胺
97%
别名:
4-氨基-3-氯三氟甲苯
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关于此项目
线性分子式:
ClC6H3(CF3)NH2
化学文摘社编号:
分子量:
195.57
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
254-674-8
MDL number:
产品名称
2-氯-4-(三氟甲基)苯胺, 97%
InChI key
MBBUTABXEITVNY-UHFFFAOYSA-N
InChI
1S/C7H5ClF3N/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H,12H2
SMILES string
Nc1ccc(cc1Cl)C(F)(F)F
assay
97%
refractive index
n20/D 1.5030 (lit.)
bp
214-218 °C (lit.)
density
1.4160 g/mL at 25 °C (lit.)
functional group
chloro
fluoro
Quality Level
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signalword
Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Aquatic Acute 1 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
217.4 °F - closed cup
flash_point_c
103 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
G B Scarfe et al.
Xenobiotica; the fate of foreign compounds in biological systems, 29(1), 77-91 (1999-03-17)
1. The metabolism and urinary excretion of 2-chloro-4-trifluoromethylaniline has been studied in the rat using 19F-NMR spectroscopy and directly coupled HPLC-NMR-MS methods. The compound was dosed to three male Sprague-Dawley rats (50 mg kg(-1) i.p.) and urine collected over 0-8
T Karthick et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 107, 72-81 (2013-02-19)
In this work, the vibrational characteristics of 2-chloro-5-(trifluoromethyl) aniline have been investigated and both the experimental and theoretical vibrational data indicate the presence of various functional groups within the title molecule. The influence of chlorine substituent on the vibrational wavenumbers
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