3,5-Dichloro-4-fluorobenzotrifluoride - CAS 77227-81-7

Name: 3,5-Dichloro-4-fluorobenzotrifluoride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035862
Product Name:	3,5-Dichloro-4-fluorobenzotrifluoride
CAS:	77227-81-7
Synonyms:	1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	1,3-dichloro-2-fluoro-5-(trifluoromethyl)benzene
Description:	3,5-Dichloro-4-fluorobenzotrifluoride (CAS# 77227-81-7) is a useful research chemical.
Molecular Weight:	232.99
Molecular Formula:	C7H2Cl2F4
Canonical SMILES:	C1=C(C=C(C(=C1Cl)F)Cl)C(F)(F)F
InChI:	InChI=1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H
InChI Key:	BWQFQKZDLBJZAW-UHFFFAOYSA-N
Boiling Point:	166-168 °C
Purity:	98 %
Density:	1.55 g/cm³
Appearance:	Clear light yellow liquid
MDL:	MFCD00068183
LogP:	4.15130

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[452-76-6]C7H6F2
2,4-Difluorotoluene

Halides

[859473-05-5]C9H6Cl2N2S
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[444581-46-8]C8H7BrF2
1-Bromo-2-(1,1-difluoroethyl)benzene
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
JP-2014080385-A	Oxime ether compounds and their use for pest control	20121016
DE-102009049419-A1	Improved process for the preparation of 3-chloro-4,5-difluorobenzotrifluoride	20091014
DE-102009049419-B4	Improved process for the preparation of 3-chloro-4,5-difluorobenzotrifluoride	20091014
AU-2008248751-A1	Heterocyclic compounds and their use as pesticides	20070502
CA-2683821-A1	Heterocyclic compounds and their use as pesticides	20070502

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.9469681
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.9469681
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2