AG00C075

393-38-4 | 2,5-Difluorobenzotrifluoride

AG00C075

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CAS Number	393-38-4
Catalog Number	AG00C075(AGN-PC-0NG2DR)
Chemical Name	2,5-Difluorobenzotrifluoride
IUPAC Name	1,4-difluoro-2-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F5/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H
InChI Key	BLDOSVXRDMTZQE-UHFFFAOYSA-N
MDL Number	MFCD00042494
Molecular Formula	C7H3F5
Molecular Weight	182.0907
SMILES	FC(F)(F)C1=CC(F)=CC=C1F
Synonyms	2,5-Difluorobenzotrifluoride, 393-38-4, 1,4-difluoro-2-(trifluoromethyl)benzene, 1,4-difluoro-2-trifluoromethyl-benzene, Benzene, 1,4-difluoro-2-(trifluoromethyl)-, MFCD00042494, PubChem1650, SCHEMBL7265211, DTXSID60455597, ZX-AP002852, ACM393384, FCH835435, PC6199, SBB089859, ZINC49588103, AKOS005258182, AM62301, LF10136, 1-(Trifluoromethyl)-2,5-difluorobenzene, AS-19912, SY018439, AJ-111310, AX8244179, TL8002841, A6587, D4933, FT-0656212, Z1662, MFCD00042494 (98%), K-8483, I01-6802, 2,3-Difluorobenzotrifluoride, C7H3F5, ACN-055952, CID11111097, 2,5-Difluorobenzotrifluoride, 98% - 1G 1g, 64248-59-5, N/A,

Complexity	152
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.093g/mol
Monoisotopic Mass	182.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H335-H226-H315-H319
Packing Group
Precautionary statements	P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

Lot Number