AG0029C9

2042-14-0 | Phenol, 4-methyl-3-nitro-

AG0029C9

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CAS Number	2042-14-0
Catalog Number	AG0029C9(AGN-PC-0JKCS7)
Chemical Name	Phenol, 4-methyl-3-nitro-
EC Number	218-044-6
IUPAC Name	4-methyl-3-nitrophenol
InChI	InChI=1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3
InChI Key	BQEXDUKMTVYBRK-UHFFFAOYSA-N
MDL Number	MFCD00007244
Molecular Formula	C7H7NO3
Molecular Weight	153.1354
NSC Number	41205
SMILES	C1=C(O)C=CC(=C1[N+]([O-])=O)C
UNII	4B422HUD6H
Synonyms	4-Methyl-3-nitrophenol, 2042-14-0, 3-Nitro-4-methylphenol, 3-NITRO-P-CRESOL, 4-methyl-3-nitro-phenol, 4-Hydroxy-2-nitrotoluene, Phenol, 4-methyl-3-nitro-, 2-Nitro-4-hydroxytoluene, p-Cresol, 3-nitro-, UNII-4B422HUD6H, 4-methyl-5-nitrophenol, MFCD00007244, 4B422HUD6H, BQEXDUKMTVYBRK-UHFFFAOYSA-N, 4-Methyl-3-nitrophenol (3-Nitro-p-cresol), 3-Nitro-p-kresol, NSC41205, EINECS 218-044-6, PubChem1480, 2(OR 4)-METHYL-3-NITROPHENOL, ACMC-1CRP5, 2-nitro-4-hydroxy toluene, 3-NITRO-4-CRESOL, AC1L27LZ, KSC204A8J, SCHEMBL310638, Jsp004174, CTK1A4084, AM839, WT027, 4-Hydroxy-1-methyl-2-nitrobenzene, ACT07487, CS-D1224, KS-00000F8H, ZINC1672516, ANW-24069, FC0819, NSC-41205, SBB008513, STL214887, AKOS005136098, AC-3103, AS05506, CM11793, FR-2199, GS-3212, LS10704, MCULE-3420863965, RP21707, RTC-063863, TRA0021729, 2042-14-0 4-methyl-3-nitrophenol, 68137-09-7, AJ-29253, AK-34018, AN-13276, BP-20234, BR-34018, CJ-06133, CJ-27192, SC-02302, TL806423, AB0005666, AB1008045, DB-023808, TC-063863, FT-0619039, N0210, ST24032819, ST45237803, EN300-49210, M-3146, M-4257, A814539, AE-508/43280921, I01-1759, F0001-2372, InChI=1/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H, 3- nitro- p- cresol, C7H7NO3, C7-H7-N-O3, CID16271, 4-Methyl-3-nitrophenol, 98% 5g, 4-Methyl-3-nitrophenol, 98% - 25G 25g, 106-30-9,

Complexity	154
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.137g/mol
Monoisotopic Mass	153.043g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2446

Certificate of Analysis

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