AG001YYU

1735-53-1 | Benzonitrile, 4-bromo-3-(trifluoromethyl)-

AG001YYU

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CAS Number	1735-53-1
Catalog Number	AG001YYU(AGN-PC-0NAS9C)
Chemical Name	Benzonitrile, 4-bromo-3-(trifluoromethyl)-
IUPAC Name	4-bromo-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3BrF3N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H
InChI Key	KSXUIQQDHHFSRN-UHFFFAOYSA-N
MDL Number	MFCD03095347
Molecular Formula	C8H3BrF3N
Molecular Weight	250.0153
SMILES	N#CC1=CC=C(Br)C(C(F)(F)F)=C1
Synonyms	4-Bromo-3-(trifluoromethyl)benzonitrile, 1735-53-1, 3-Trifluoromethyl-4-bromobenzonitrile, 2-Bromo-5-cyanobenzotrifluoride, 3-Trifluoromethyl-4-bromo benzonitrile, Benzonitrile, 4-bromo-3-(trifluoromethyl)-, 4-bromo-3-(trifluoromethyl)benzenecarbonitrile, 4-Bromo-3-trifluoromethyl-benzonitrile, AK-33687, 4-BROMO-3-TRIFLUOROMETHYLBENZONITRILE, MFCD03095347, PubChem1576, Intermediates-ZCF02288, ACMC-209e6z, KSC494O4T, SCHEMBL403023, Jsp003542, CTK3J4749, KS-00000FCI, DTXSID70445121, KSXUIQQDHHFSRN-UHFFFAOYSA-N, WT108, ACT00890, ZINC2384143, ZX-AP003004, ANW-22665, DT1276, PC1337, SBB063633, 4-bromo-3-trifluoromethyl benzonitrile, AKOS015853121, AB13696, AC-1434, AF10008, AM61381, AN-2127, AS01635, CB-1973, CM12992, CS-W009356, FCH1328129, LS10441, PS-7482, RL02220, RTC-010862, VZ28512, 4-bromo-3-(trifluoromethyl)-benzonitrile, AJ-35073, BBV-40203980, BC002179, BC220211, BR-33687, CC-18277, CJ-08254, SC-01703, SY030538, AB0030817, AX8010782, DB-005333, TC-010862, TL8001373, B4691, FT-0080341, FT-0601458, ST24028954, X3072, 4-bromo-3-(trifluoromethyl)benzonitrile 97%, MFCD03095347 (95%), B-3329, EN300-111586, 1735-53-1 3-trifluoromethyl-4-bromobenzonitrile, 735B531, C-15371, 4-bromo-3-(trifluoromethyl)benzonitrile, AldrichCPR, I01-2364, J-513120, 2-bromo-5-cyanobenzotrifluoride, 4-bromo-alpha,alpha,alpha-trifluoro-m-tolunitrile, C8H3BrF3N, RW1716, ACN-056226, CID10800647, A1545, C2204, 4-Chloro-3,5-dibromo-(difluoromethoxy)benzene,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.018g/mol
Monoisotopic Mass	248.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number