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Merck
CN

C60600

4-Chloro-3-nitrobenzotrifluoride

97%

Synonym(s):

2-Chloro-5-(trifluoromethyl)nitrobenzene, 4-Chloro-3-nitro-α,α,α-trifluorotoluene, CMNT, MNT-Cl

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About This Item

Linear Formula:
ClC6H3(NO2)CF3
CAS Number:
121-17-5
Molecular Weight:
225.55
Beilstein:
523986
EC Number:
204-451-6
MDL number:
MFCD00007084
UNSPSC Code:
12352100
PubChem Substance ID:
24892832
NACRES:
NA.22

Key Documents

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Quality Level

100

Assay

97%

form

liquid

refractive index

n20/D 1.489 (lit.)

bp

222 °C (lit.)

density

1.511 g/mL at 25 °C (lit.)

SMILES string

[O-][N+](=O)c1cc(ccc1Cl)C(F)(F)F

InChI

1S/C7H3ClF3NO2/c8-5-2-1-4(7(9,10)11)3-6(5)12(13)14/h1-3H

InChI key

TZGFQIXRVUHDLE-UHFFFAOYSA-N

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Related Categories

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H302,H410

Precautionary Statements

P273 - P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 2

Flash Point(F)

239.0 °F - closed cup

Flash Point(C)

115 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKCP0272
MKCR2761
MKCK6794
07703CV
08608CE

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[Subchronic oral toxicity in the rat of 3-nitro-4-chloro-alpha,alpha,alpha-trifluorotoluene (NCTT)].
R Bucchi et al.
Annali dell'Istituto superiore di sanita, 19(2-3), 385-389 (1983-01-01)
In vitro mutational studies with trifluralin and trifluorotoluene derivatives.
R Benigni et al.
Annali dell'Istituto superiore di sanita, 18(1), 123-126 (1982-01-01)
[Acute oral toxicity in the rat of 3-nitro-4-chloro-alpha,alpha, alpha-trifluorotoluene (NCTT) and 3,5-dinitro-4-chloro-alpha,alpha, alpha-trifluorotoluene (DNCTT)].
A R Bucchi et al.
Annali dell'Istituto superiore di sanita, 19(2-3), 351-354 (1983-01-01)
S Giorgini et al.
Italian general review of dermatology, 15(2), 107-112 (1978-05-01)
A case of occupational contact dermatitis in a female chemical pharmaceutical laboratory researcher is described. The allergological investigation revealed a state of sensitization to three mono-nitrobenzenes with halogen substitutions in the nucleus or a side chain. Problems related to sensitization
Joshua Kurek et al.
Environmental science & technology, 53(13), 7316-7325 (2019-06-13)
Historic forest management practices led to widespread aerial application of insecticides, such as dichlorodiphenyltrichloroethane (DDT), to North American conifer forests during ∼1950-1970. Lake basins thus may provide an important archive of inputs and aquatic responses to these organochlorines. We use

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