AG00EG18

59770-96-6 | 3-(1-Bromoethyl)benzotrifluoride

AG00EG18

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CAS Number	59770-96-6
Catalog Number	AG00EG18(AGN-PC-0KKWZH)
Chemical Name	3-(1-Bromoethyl)benzotrifluoride
IUPAC Name	1-(1-bromoethyl)-3-(trifluoromethyl)benzene
InChI	InChI=1S/C9H8BrF3/c1-6(10)7-3-2-4-8(5-7)9(11,12)13/h2-6H,1H3
InChI Key	AJBWDFPJLDDEPQ-UHFFFAOYSA-N
MDL Number	MFCD00018050
Molecular Formula	C9H8BrF3
Molecular Weight	253.0590
SMILES	CC(Br)C1=CC(=CC=C1)C(F)(F)F
Synonyms	1-(1-bromoethyl)-3-(trifluoromethyl)benzene, 59770-96-6, ALPHA-METHYL-M-TRIFLUOROMETHYLBENZYL BROMIDE, 3-(1-Bromoethyl)benzotrifluoride, 68120-41-2, alpha-Methyl-3-(trifluoromethyl)benzyl bromide, AC1MCQCU, AC1Q1LEC, SCHEMBL215226, CTK6A5447, AJBWDFPJLDDEPQ-UHFFFAOYSA-N, KS-00000N9K, ANW-58394, CK1002, MFCD00018050, SBB101202, 3-(1-bromoethyl)trifluoromethylbenzene, a-methyl-3-trifluoromethylbenzylbromide, AKOS009158078, EBD2201923, VZ31242, AK-81738, DS-16422, SY038242, 3-(bromoethyl)-1-(trifluoromethyl)benzene, alpha-Methyl-m-trifluoromethylbenzylbromide, AB0010192, DB-053458, TR-022796, 4CH-021491, CS-0031406, FT-0622264, FT-0640634, ST24036975, 1-(1-bromo-ethyl)-3-trifluoromethyl-benzene, 1-Bromo-1-[3-(trifluoromethyl)phenyl]ethane, 3-(1-bromoethyl)benzotrifluoride, AldrichCPR, MFCD00018050 (95%), (+/-)-1-(3-trifluoromethylphenyl)ethyl bromide, A832460, ALPHA-METHYL-3-TRIFLUOROMETHYLBENZYL BROMIDE, I01-13628, 3- BENZOTRIFLUORIDE, -Methyl-3-(trifluoromethyl)benzyl bromide, CID2775624, -METHYL-3-TRIFLUOROMETHYLBENZYLBROMIDE, ?-METHYL-3-(TRIFLUOROMETHYL)BENZYL BROMIDE, alpha-METHYL-O-TRIFLUOROMETHYLBENZYL BROMIDE,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.976g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.062g/mol
Monoisotopic Mass	251.976g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H319
Packing Group	Ⅲ
Precautionary statements	P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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