AG00DEDA

52771-22-9 | 3-(Trifluoromethoxy)benzonitrile

AG00DEDA

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	52771-22-9
Catalog Number	AG00DEDA(AGN-PC-0JMSYG)
Chemical Name	3-(Trifluoromethoxy)benzonitrile
IUPAC Name	3-(trifluoromethoxy)benzonitrile
InChI	InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H
InChI Key	DCZAPXGEZYVQNX-UHFFFAOYSA-N
MDL Number	MFCD00040959
Molecular Formula	C8H4F3NO
Molecular Weight	187.1187
SMILES	C1=C(C=CC=C1OC(F)(F)F)C#N
Synonyms	3-(Trifluoromethoxy)benzonitrile, 52771-22-9, m-trifluoromethoxybenzonitrile, BENZONITRILE, 3-(TRIFLUOROMETHOXY)-, 3-trifluoromethoxy-benzonitrile, DCZAPXGEZYVQNX-UHFFFAOYSA-N, MFCD00040959, 3-(trifluoromethoxy)benzenecarbonitrile, PubChem4825, ACMC-1ART8, AC1L3M6C, 3-Trifluoromethoxybenzonitrile, KSC493E1J, m-trifluoromethoxy benzonitrile, SCHEMBL689277, m-(Trifluoromethoxy)benzonitrile, 3 - Trifluoromethoxybenzonitrile, 3-(Tirfluoromethoxy)benzonitrile, CTK3J3214, DCZAPXGEZYVQNX-UHFFFAOYSA-, TIMTEC-BB SBB017049, DTXSID30200753, ZINC164867, ACT12427, JRD-0651, KS-00000KM8, ANW-31545, CT-856, SBB017049, AKOS006229363, AC-4109, AS01714, CM13154, MCULE-6354369426, PS-8462, RTR-018696, TF10248, VZ26128, AJ-16308, AK-49108, AN-12304, BR-49108, CJ-02242, SC-05066, SY017051, U407, ZB008343, AB0019249, DB-021755, ST2417421, TR-018696, 3-(Trifluoromethoxy)benzonitrile, AldrichCPR, 4CH-013533, AM20060078, FT-0083245, FT-0613904, ST50405153, MFCD00040959 (95%), S-1391, I01-4883, InChI=1/C8H4F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H, C8H4F3NO, CID142962, ZINC00164867, ACN-056243, T2372, 3-(Trifluoromethoxy)benzonitrile, 98% - 1G 1g,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.024g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	187.121g/mol
Monoisotopic Mass	187.024g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number