AG003HNP

89976-12-5 | 1-Methyl-4-nitro-2-(trifluoromethyl)benzene

AG003HNP

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CAS Number	89976-12-5
Catalog Number	AG003HNP(AGN-PC-0KKWV5)
Chemical Name	1-Methyl-4-nitro-2-(trifluoromethyl)benzene
IUPAC Name	1-methyl-4-nitro-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6F3NO2/c1-5-2-3-6(12(13)14)4-7(5)8(9,10)11/h2-4H,1H3
InChI Key	SVQCVQCIZWSPPX-UHFFFAOYSA-N
MDL Number	MFCD01631684
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	C(F)(F)(F)c1cc(N(=O)=O)ccc1C
Synonyms	89976-12-5, 2-Methyl-5-nitrobenzotrifluoride, 1-methyl-4-nitro-2-(trifluoromethyl)benzene, 4-Nitro-2-(trifluoromethyl)toluene, 2-(trifluoromethyl)-4-nitrotoluene, 1-Methyl-4-nitro-2-trifluoromethyl-benzene, 1-methyl-4-nitro-2-(trifluoromethyl)-benzene, 3-TRIFLUOROMETHYL-4-METHYLNITROBENZENE, MFCD01631684, BENZENE, 1-METHYL-4-NITRO-2-(TRIFLUOROMETHYL)-, 4-NITRO-2-TRIFLUOROMETHYLTOLUENE, 2-(TRIFLUOROMETHYL)-1-METHYL-4-NITROBENZENE, PubChem4444, PubChem15327, AC1MCQ7Z, KSC926I9R, SCHEMBL589254, CTK8C6498, DTXSID90379550, SVQCVQCIZWSPPX-UHFFFAOYSA-N, WT250, ACT13131, BCP05883, ZINC2382388, CL8839, SBB093436, AKOS003587370, AM62311, AN-1583, AS01081, CM13260, CS-W004780, QC-3918, RP26139, RTR-028221, TRA0084857, XF10105, 4-Methyl-3-(trifluoromethyl)nitrobenzene, 1-methyl-4-nitro-2-trifluormethylbenzene, AC-23596, AJ-34844, AK-36805, AS-18657, BR-36805, EN001889, SC-27388, SY014047, 1-Methyl-4-nitro-2-trifluoromethylbenzene, AB0028112, ST2415424, TC-060402, 1-Methyl-2-(trifluoromethyl)-4-nitrobenzene, 4CH-002951, FT-0084529, FT-0642152, M2798, X0141, MFCD01631684 (98%), 2-TRI FLUOROMETHYL-4-NITROMETHYLBENZENE, A21488, S-3010, 89976-12-5 2-methyl-5-nitrobenzotrifluoride, 976M125, 3-(TRIFLUOROMETHYL)-4-METHYL-1-NITROBENZENE, I01-8861, J-504953, 4-nitro-2-trifluorotoluene, C8H6F3NO2, ACN-050543, CID2775447,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.136g/mol
Monoisotopic Mass	205.035g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P304+P340-P305+P351+P338-P405-P501a
UN Code	UN 2811

Certificate of Analysis

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