AG003F5P

21742-00-7 | Benzene, 1-​(chloromethyl)​-​2-​(trifluoromethyl)​-

AG003F5P

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CAS Number	21742-00-7
Catalog Number	AG003F5P(AGN-PC-0JLXT6)
Chemical Name	Benzene, 1-​(chloromethyl)​-​2-​(trifluoromethyl)​-
EC Number	244-560-6
IUPAC Name	1-(chloromethyl)-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6ClF3/c9-5-6-3-1-2-4-7(6)8(10,11)12/h1-4H,5H2
InChI Key	BBXDMCQDLOCXRA-UHFFFAOYSA-N
MDL Number	MFCD00009920
Molecular Formula	C8H6ClF3
Molecular Weight	194.5814
SMILES	C(Cl)c1c(C(F)(F)F)cccc1
Synonyms	2-(Trifluoromethyl)benzyl chloride, 21742-00-7, 1-(Chloromethyl)-2-(trifluoromethyl)benzene, 2-(trifluoromethyl)benzylchloride, o-trifluoromethylbenzyl chloride, MFCD00009920, Benzene, 1-(chloromethyl)-2-(trifluoromethyl)-, alpha'-Chloro-alpha,alpha,alpha-trifluoro-o-xylene, g1r bxfff, 2-trifluoromethylbenzyl chloride, EINECS 244-560-6, PubChem4692, ACMC-209fnp, AC1L3GZM, AC1Q4INC, AC1Q3U9P, KSC493K4T, 2-trifluoromethylbenzylchloride, SCHEMBL121915, 2-(Chloromethyl)benzotrifluoride, CTK3J3549, TIMTEC-BB SBB006695, DTXSID20176135, BBXDMCQDLOCXRA-UHFFFAOYSA-N, ACN-S004570, ACT13263, ALBB-006034, JRD-0774, KS-00000D3C, ZINC2539279, a'-Chloro-a,a,a-trifluoro-o-xylene, ANW-24563, EBD568196, SBB006695, STK503679, AKOS000262076, AC-9762, AM62178, AN-6043, AS00638, LS11181, MCULE-8004178522, RP25330, RTC-071223, TRA0014566, 1-chloromethyl-2-trifluoromethyl-benzene, 2-(Trifluoromethyl)benzyl chloride, 97%, AK-34129, BR-81391, CJ-09149, PS-10659, Q028, SC-78142, AB0017354, TC-071223, TL8001802, 2-(chloromethyl)-1-(trifluoromethyl)benzene, FT-0608758, R1213, ST50946596, 1-(chloromethyl)-2-(trifluoromethyl)-benzene, A22552, Benzene,1-(chloromethyl)-2-(trifluoromethyl)-, I01-2547, J-506669, alpha-Chloro-alpha',alpha',alpha'-trifluoro-o-xlylene, 1-(chloromethyl)-2-(trifluoromethyl)benzene;o-(Trifluoromethyl)Benzyl Chloride, 2- benzylchloride, C8H6ClF3, CID89028, AR-1J1105, T2731, 2-(Trifluoromethyl)benzyl chloride, 97% - 1G 1g, 22255-40-9,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.011g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	194.581g/mol
Monoisotopic Mass	194.011g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H227-H314-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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