AG000SJD

1263178-51-3 | Benzene, 1-(bromomethyl)-3-(difluoromethyl)-

AG000SJD

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CAS Number	1263178-51-3
Catalog Number	AG000SJD(AGN-PC-0WNPP6)
Chemical Name	Benzene, 1-(bromomethyl)-3-(difluoromethyl)-
IUPAC Name	1-(bromomethyl)-3-(difluoromethyl)benzene
InChI	InChI=1S/C8H7BrF2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,8H,5H2
InChI Key	ZLEPJRZWCZMUGA-UHFFFAOYSA-N
MDL Number	MFCD18791600
Molecular Formula	C8H7BrF2
Molecular Weight	221.0420
SMILES	FC(C1=CC(CBr)=CC=C1)F
Synonyms	1263178-51-3, 3-(Difluoromethyl)benzyl bromide, 1-(Bromomethyl)-3-(difluoromethyl)benzene, 3-(Difluoromethyl)benzylBromide, 1-Bromomethyl-3-difluoromethyl-benzene, 3-(Bromomethyl)benzal fluoride, SCHEMBL15094029, DTXSID00718310, MFCD18791600, ZINC71790074, AKOS017549478, KS-00000D49, PS-10016, SY033946, 3-(Bromomethyl)-alpha,alpha-difluorotoluene, MFCD18791600 (95%), Benzene, 1-(bromomethyl)-3-(difluoromethyl)-, K-3934,

Complexity	117
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.97g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.045g/mol
Monoisotopic Mass	219.97g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H320-H335
Packing Group	Ⅱ
Precautionary statements	P264-P270-P301+P312-P330
UN Code	UN 3265

Certificate of Analysis

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