AG003LW0

2131-61-5 | 4-Nitrophenyl isothiocyanate

AG003LW0

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CAS Number	2131-61-5
Catalog Number	AG003LW0(AGN-PC-0WAAM2)
Chemical Name	4-Nitrophenyl isothiocyanate
EC Number	218-359-9
IUPAC Name	1-isothiocyanato-4-nitrobenzene
InChI	InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4H
InChI Key	NXHSSIGRWJENBH-UHFFFAOYSA-N
MDL Number	MFCD00007307
Molecular Formula	C7H4N2O2S
Molecular Weight	180.1839
NSC Number	84691
SMILES	N(=O)(=O)c1ccc(cc1)N=C=S
Synonyms	4-Nitrophenyl isothiocyanate, 2131-61-5, 1-Isothiocyanato-4-nitrobenzene, 4-Nitrophenylisothiocyanate, p-Nitrophenyl isothiocyanate, Benzene, 1-isothiocyanato-4-nitro-, Isothiocyanic Acid 4-Nitrophenyl Ester, 1-isothiocyanato-4-nitro-benzene, NXHSSIGRWJENBH-UHFFFAOYSA-N, MFCD00007307, 4-nitrobenzenisothiocyanate, 4-Nitrophenyl Isothiocyanate, 98% 25Gr, PubChem13428, AC1Q1XKT, AC1Q7EWH, 4nitrophenyl isothiocyanate, ACMC-209fj2, 4-nitro-phenylisothiocyanate, 4-nitrobenzyl-isothiocyanate, AC1L2NX2, (4-nitrophenyl)isothiocyanate, 4-nitro-phenyl isothiocyanate, 4-nitro-phenyl-isothiocyanate, Phenylisothiocyanate, 4-nitro, SCHEMBL206480, DTXSID9062198, SCHEMBL15630319, CTK3J4499, TIMTEC-BB SBB002729, ATTERCOP-CHM AT114475, 1-Isothiocyanato-4-nitrobenzene #, 4-Nitrophenyl isothiocyanate, 98%, BCP20905, NSC84691, ZERO/008130, ZINC4269455, EINECS 218-359-9, ANW-24396, NSC-84691, SBB002729, STK301532, AKOS000120523, AS04377, CM13780, Isothiocyanic acid, p-nitrophenyl ester, LS10042, MCULE-2383157794, RP03192, VZ29590, AN-50420, BP-12887, AB1003178, DB-045542, RT-002043, FT-0618854, N0826, ST45061210, TL80073704, Y8237, A26607, S-8034, AL-398/25017004, I09-3292, W-206616, F1915-0003, InChI=1/C7H4N2O2S/c10-9(11)7-3-1-6(2-4-7)8-5-12/h1-4, 1-ISOTHIOCYANATO-4-NITROBENZENE 4-NITROPHENYL ISOTHIOCYANATE P-NITROPHENYL ISOTHIOCYANATE 1-isothiocyanato-4-nitro-benzen, null, 4-Nitrobenzyl thiocyanate, C7H4N2O2S, CID75044, AR-1L1390, 21857-91-0,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.999g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.181g/mol
Monoisotopic Mass	179.999g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	90.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H314-H318-H331-H315-H317-H319-H334-H335
Packing Group
Precautionary statements	P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P280-P305+P351+P338-P342+P311
UN Code	\N

Certificate of Analysis

Lot Number