AG00DC14

455-31-2 | (Difluoromethyl)benzene

AG00DC14

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CAS Number	455-31-2
Catalog Number	AG00DC14(AGN-PC-0WAKZ6)
Chemical Name	(Difluoromethyl)benzene
IUPAC Name	difluoromethylbenzene
InChI	InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
InChI Key	JDZLOJYSBBLXQD-UHFFFAOYSA-N
MDL Number	MFCD03788488
Molecular Formula	C7H6F2
Molecular Weight	128.1193
SMILES	FC(C1=CC=CC=C1)F
Synonyms	(difluoromethyl)benzene, 455-31-2, difluoromethylbenzene, benzene, (difluoromethyl)-, Benzalfluorid, AC1LD0PQ, Benzene,(difluoromethyl)-, alpha,alpha-difluorotoluene, SCHEMBL60955, (Difluoromethyl)benzene, 97%, CTK4I8864, DTXSID80348735, JDZLOJYSBBLXQD-UHFFFAOYSA-N, ZINC2510713, ACM455312, BBL101058, FCH831936, MFCD03788488, PC0683, STL554852, AKOS005256029, FS-5401, KS-000017N6, AB0034192, TR-017289, D4915, FT-0604911, X8304, C-6056, I01-14822, InChI=1/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7, difluoro-methyl-benzene, C7H6F2, CID640452,

Complexity	75
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.044g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	128.122g/mol
Monoisotopic Mass	128.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(3)
Hazard statements	H226-H314-H319
Packing Group	Ⅱ
Precautionary statements	P210-P233-P240-P241-P242-P243-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P337+P313-P363-P370+P378-P403+P235-P405-P501
UN Code	UN 2920

Certificate of Analysis

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