AG006UKS

237761-76-1 | 3,4-Difluoro-5-(trifluoromethyl)benzoic acid

AG006UKS

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	237761-76-1
Catalog Number	AG006UKS(AGN-PC-0KL1I3)
Chemical Name	3,4-Difluoro-5-(trifluoromethyl)benzoic acid
IUPAC Name	3,4-difluoro-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H3F5O2/c9-5-2-3(7(14)15)1-4(6(5)10)8(11,12)13/h1-2H,(H,14,15)
InChI Key	CKUNRJPLPRCMCL-UHFFFAOYSA-N
MDL Number	MFCD00236257
Molecular Formula	C8H3F5O2
Molecular Weight	226.1002
SMILES	OC(=O)c1cc(F)c(F)c(c1)C(F)(F)F
Synonyms	3,4-difluoro-5-(trifluoromethyl)benzoic Acid, 237761-76-1, Intermediates-ZCF02637, AC1MD1R8, SCHEMBL627998, CTK4F2224, DTXSID20381969, ZINC2560153, MFCD00236257, PC3342, AS-8610, CM12690, ACM237761761, AJ-40481, AX8081826, DB-031577, FT-0734923, Z1810, Benzoic acid,3,4-difluoro-5-(trifluoromethyl)-, C8H3F5O2, 3,4-DIFLUORO-5- BENZOICACID, CID2782191,

Complexity	252
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.005g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.102g/mol
Monoisotopic Mass	226.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H311-H331
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
UN Code	UN 2811

Certificate of Analysis

Lot Number