2-Chloro-3-nitrobenzotrifluoride - CAS 39974-35-1

Name: 2-Chloro-3-nitrobenzotrifluoride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024230
Product Name:	2-Chloro-3-nitrobenzotrifluoride
CAS:	39974-35-1
Synonyms:	2-chloro-1-nitro-3-(trifluoromethyl)benzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-1-nitro-3-(trifluoromethyl)benzene
Description:	2-Chloro-3-nitrobenzotrifluoride (CAS# 39974-35-1) is used in the synthesis of highly potent and orally effective Inhibitors of FABP4 for anti-inflammation.
Molecular Weight:	225.55
Molecular Formula:	C7H3ClF3NO2
Canonical SMILES:	C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(F)(F)F
InChI:	InChI=1S/C7H3ClF3NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H
InChI Key:	TWABRHQBRWLSSE-UHFFFAOYSA-N
Boiling Point:	234.6 °C at 760 mmHg
Density:	1.537 g/cm³
MDL:	MFCD14525509
LogP:	3.79020

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Related Functional Groups

Fluorinated Building Blocks

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[459836-92-1]C8H6F2O2
3,6-Difluoro-2-methylbenzoic acid
[1795420-51-7]C6H6F3N3O2
3-Amino-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxylic acid
[351-28-0]C8H8FNO
3'-Fluoroacetanilide

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[452-76-6]C7H6F2
2,4-Difluorotoluene
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[45867-11-6]C5H4ClN3O2
2-Amino-5-chloro-4-pyrimidinecarboxylic acid

Publication Number	Title	Priority Date
CN-112939818-A	Synthetic method of 2- (2, 2-difluoroethoxy) -6-trifluoromethylbenzenesulfonyl chloride	20191211
EP-3252038-A1	N-benzoate group substituted benzopyrroline-2-one derivative and use thereof	20150128
US-2017368028-A1	N-benzoate group substituted benzopyrroline-2-one derivative and use thereof	20150128
WO-2016119641-A1	N-benzoate group substituted benzopyrroline-2-one derivative and use thereof	20150128
CN-105801454-A	Method for preparation of 2-(2,2-difluoroethoxy)-6-(trifluoromethyl)benzene-1-sulfonyl chloride	20141231

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:	3.3