AG002EDT

190197-86-5 | Benzonitrile, 4-bromo-3-(bromomethyl)-

AG002EDT

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CAS Number	190197-86-5
Catalog Number	AG002EDT(AGN-PC-009RV5)
Chemical Name	Benzonitrile, 4-bromo-3-(bromomethyl)-
IUPAC Name	4-bromo-3-(bromomethyl)benzonitrile
InChI	InChI=1S/C8H5Br2N/c9-4-7-3-6(5-11)1-2-8(7)10/h1-3H,4H2
InChI Key	AEXYSQSKOJJWLK-UHFFFAOYSA-N
MDL Number	MFCD12755973
Molecular Formula	C8H5Br2N
Molecular Weight	274.9400
SMILES	N#CC1=CC=C(Br)C(CBr)=C1
Synonyms	4-bromo-3-(bromomethyl)benzonitrile, 190197-86-5, Benzonitrile, 4-bromo-3-(bromomethyl)-, SCHEMBL1232330, CTK0E1663, DTXSID10466996, AEXYSQSKOJJWLK-UHFFFAOYSA-N, 4-bromo-3-bromomethyl-benzonitrile, 6117AJ, MFCD12755973, ZINC79063936, AKOS014096717, AB66014, FCH4898250, TRA0078544, KS-00000D46, AK187450, AS-32251, BBV-39184043, CJ-21970, SC-65503, SY022576, AX8268787, 4-BROMO-3-(BROMOMETHYL)-BENZONITRILE, Z-3390, 4-Bromo-3-(bromomethyl)benzonitrile, AldrichCPR, MFCD12755973 (95+%), C8H5Br2N, CID11471344,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.877g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.943g/mol
Monoisotopic Mass	272.879g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

Lot Number