AG003L57

939-80-0 | 4-Chloro-3-nitrobenzonitrile

AG003L57

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CAS Number	939-80-0
Catalog Number	AG003L57(AGN-PC-0CE2WX)
Chemical Name	4-Chloro-3-nitrobenzonitrile
EC Number	213-364-2
IUPAC Name	4-chloro-3-nitrobenzonitrile
InChI	InChI=1S/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key	XBLPHYSLHRGMNW-UHFFFAOYSA-N
MDL Number	MFCD00016987
Molecular Formula	C7H3ClN2O2
Molecular Weight	182.5639
SMILES	C1=C(C=CC(=C1[N+](=O)[O-])Cl)C#N
Synonyms	4-Chloro-3-nitrobenzonitrile, 939-80-0, 4-Chloro-3-nitro-benzonitrile, BENZONITRILE, 4-CHLORO-3-NITRO-, 3-Nitro-4-chlorobenzonitrile, 2-Chloro-5-cyanonitrobenzene, 4-Chlor-3-nitrobenzonitril, BRN 1639111, 4-Chlor-3-nitrobenzonitril [Czech], EINECS 213-364-2, MFCD00016987, CHEMBL54162, XBLPHYSLHRGMNW-UHFFFAOYSA-N, 4-09-00-01227 (Beilstein Handbook Reference), 4-chloro-3-nitrobenzenecarbonitrile, PubChem22638, ACMC-209roh, SCHEMBL6463, 4-chloro-3-nitrobenzonitril, 4-chloro-3-nitro-benzonitril, KSC494M1F, 3-nitro-4-chloro-benzonitrile, 4-chloro-3-nitro benzonitrile, BEN374, SCHEMBL17347334, CTK3J4612, ZINC60125, 2-chloro-5-cyano-1-nitrobenzene, DTXSID50239868, AC1L2273, ACN-S003948, CS-D1140, EBD53810, 3-NITRO-5-CHLOROBENZONITRILE, 4-Chloro-3-nitrobenzonitrile, 97%, ANW-40143, BBL023752, BDBM50101954, LABOTEST-BB LT00160147, RW3553, SBB055438, STK417952, TD1133, WT1575, AKOS000427999, AS02375, DS-1107, LS11290, MCULE-8962801375, QC-2140, RP24360, RTX-011212, TF10144, TRA0040026, 939-80-0 4-chlor-3-nitrobenzonitril, AC-23870, AJ-09899, AK-44873, AN-16375, BC253649, BR-44873, CJ-00508, LS-38666, SC-26009, SY005842, ZB002409, AB0019904, AB1000605, DB-023159, ST2411307, ST4015800, 4CH-013889, AM20041434, BB 0246389, EU-0050984, FT-0618085, V0490, B-5017, MFCD00016987 (97+%), SR-01000510901, I01-6272, SR-01000510901-1, W-204096, A0770/0036021, InChI=1/C7H3ClN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3, C7H3ClN2O2, C7-H3-Cl-N2-O2, CID13655, 4-Chloro-3-nitrobenzonitrile, 98% 5g, C1548, A15980, 4-Chloro-3-nitrobenzonitrile, 97% - 25G 25g,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.988g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.563g/mol
Monoisotopic Mass	181.988g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number