AG003IGG

3218-49-3 | 2-(3,4-Dichlorophenyl)acetonitrile

AG003IGG

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CAS Number	3218-49-3
Catalog Number	AG003IGG(AGN-PC-0JLQ78)
Chemical Name	2-(3,4-Dichlorophenyl)acetonitrile
EC Number	221-743-9
IUPAC Name	2-(3,4-dichlorophenyl)acetonitrile
InChI	InChI=1S/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H2
InChI Key	QWZNCAFWRZZJMA-UHFFFAOYSA-N
MDL Number	MFCD00001909
Molecular Formula	C8H5Cl2N
Molecular Weight	186.0380
NSC Number	111725
SMILES	C(C#N)c1cc(Cl)c(cc1)Cl
Synonyms	3,4-Dichlorophenylacetonitrile, 3218-49-3, 2-(3,4-dichlorophenyl)acetonitrile, 3,4-Dichlorobenzyl cyanide, (3,4-Dichlorophenyl)acetonitrile, Benzeneacetonitrile, 3,4-dichloro-, 3,4-?Dichlorophenylacetonitrile, 3,4-dichlorobenzylcyanide, 3,4-dichlorobenzeneacetonitrile, QWZNCAFWRZZJMA-UHFFFAOYSA-N, MFCD00001909, 3,4-Dichlorophenylacetonitrile, 98%, 2-(3,4-dichlorophenyl)ethanenitrile, (3,4-dichlorphenyl)acetonitril, EINECS 221-743-9, NSC111725, PubChem16506, AI3-12074, AC1L2RGJ, ACMC-1AGM6, AC1Q3HN0, AC1Q3HN1, AC1Q3O8F, SCHEMBL2308, KSC222G0N, 3,4-DCCN, 3,4-dichloro-phenylacetonitrile, 3,4-dichlorophenyl acetonitrile, 3,4-dichlorophenyl-acetonitrile, 3,4-dichlorophenylaceto-nitrile, Jsp005962, CTK1C2306, DTXSID70185959, OTAVA-BB 1287069, (3,4-dichlorophenyl)-acetonitrile, ZINC164770, KS-00000M5T, STR03683, (3,4-dichloro-phenyl)-acetonitrile, ANW-27299, SBB063342, AKOS001141970, AC-2970, ACN-050965, AN-6005, AS01669, CS-W007701, MCULE-2748633856, NSC-111725, PS-4611, RP24590, RTR-033188, TRA0044600, AJ-16280, AK-46738, BC203449, BR-46738, CJ-02217, FS000811, SC-25941, ZB008289, AB0012156, ST2409289, TL8002447, TR-033188, AM20061095, D1794, FT-0614240, ST50406497, EN300-21758, 18D493, A25098, M-2500, I01-1357, W-106851, Benzeneacetonitrile, 3,4-dichloro-;4,4-Dichlorophenylacetonitrile, InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H, C8H5Cl2N, C8-H5-Cl2-N, KST-1A3870, CID76690, AR-1A3827, 3,4-Dichlorophenylacetonitrile, 98% - 100G 100g, 3319-99-1,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.98g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.035g/mol
Monoisotopic Mass	184.98g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H301+H311+H331-H301-H311-H331-H302+H312+H332-H315-H319-H335
Precuationary statements	P264-P270-P271-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501-P261-P280-P305+P351+P338-P280h-P309-P310
Siginal words

Certificate of Analysis

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