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3,4-Dichloro-5-nitrobenzotrifluoride

3,4-Dichloro-5-nitrobenzotrifluoride - CAS 657-02-3

Catalog:	BB032795
Product Name:	3,4-Dichloro-5-nitrobenzotrifluoride
CAS:	657-02-3
Synonyms:	1,2-dichloro-3-nitro-5-(trifluoromethyl)benzene; 1,2-dichloro-3-nitro-5-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,2-dichloro-3-nitro-5-(trifluoromethyl)benzene
Description:	3,4-Dichloro-5-nitrobenzotrifluoride (CAS# 657-02-3) is used in preparation of 2,6-Dichloro-4-trifluoromethylphenylamine.
Molecular Weight:	260.00
Molecular Formula:	C7H2Cl2F3NO2
Canonical SMILES:	C1=C(C=C(C(=C1[N+](=O)[O-])Cl)Cl)C(F)(F)F
InChI:	InChI=1S/C7H2Cl2F3NO2/c8-4-1-3(7(10,11)12)2-5(6(4)9)13(14)15/h1-2H
InChI Key:	FZHCKUHPOZBPHB-UHFFFAOYSA-N
Boiling Point:	239.3 °C at 760 mmHg
Density:	1.638 g/cm³
MDL:	MFCD01862035
LogP:	4.44360

Publication Number	Title	Priority Date
CN-107311873-B	Method for preparing 2, 6-dichloro-4-trifluoromethylaniline with 99% content	20170724
CN-105985246-A	Diphenyl-ether compound with weeding or insecticidal or bactericidal activity	20150305
CN-105985246-B	Has the diphenyl ether compound of weeding, desinsection or bactericidal activity	20150305
EP-1140735-A1	Preparation of nuclear chlorinated aromatic compounds	19981230
US-5981789-A	Preparation of nuclear chlorinated aromatic compounds	19981230

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.9414682
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	258.9414682
Rotatable Bond Count:	0
Topological Polar Surface Area:	45.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3