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

2-Chloro-1-nitro-4-(trifluoromethyl)benzene - CAS 402-11-9

Name: 2-Chloro-1-nitro-4-(trifluoromethyl)benzene
Brand: BOC Sciences
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Catalog:	BB024373
Product Name:	2-Chloro-1-nitro-4-(trifluoromethyl)benzene
CAS:	402-11-9
Synonyms:	2-chloro-1-nitro-4-(trifluoromethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-1-nitro-4-(trifluoromethyl)benzene
Description:	2-Chloro-1-nitro-4-(trifluoromethyl)benzene (CAS# 402-11-9) is a useful research chemical.
Molecular Weight:	225.55
Molecular Formula:	C7H3ClF3NO2
Canonical SMILES:	C1=CC(=C(C=C1C(F)(F)F)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C7H3ClF3NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChI Key:	CZWWSPDHNLAYRJ-UHFFFAOYSA-N
Boiling Point:	237.2 °C at 760 mmHg
Density:	1.537 g/cm³
MDL:	MFCD00272564
LogP:	3.79020

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline

GHS Hazard Statement:	H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (16.67%): 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 (16.67%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021193756-A1	Novel benzimidazole derivative	20200325
WO-2020227484-A1	Substituted benzimidazolone compounds	20190509
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
CN-111848598-A	Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound	20190426
WO-2020069625-A1	Transcription factor brn2 inhibitory compounds as therapeutics and methods for their use	20181003

Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.9804405
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.9804405
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8