AG002HVH

1891-95-8 | Benzonitrile, 3,5-dichloro-4-hydroxy-

AG002HVH

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CAS Number	1891-95-8
Catalog Number	AG002HVH(AGN-PC-0JLBS2)
Chemical Name	Benzonitrile, 3,5-dichloro-4-hydroxy-
EC Number	217-572-4
IUPAC Name	3,5-dichloro-4-hydroxybenzonitrile
InChI	InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChI Key	YRSSHOVRSMQULE-UHFFFAOYSA-N
MDL Number	MFCD00002177
Molecular Formula	C7H3Cl2NO
Molecular Weight	188.0108
SMILES	N#CC1=CC(Cl)=C(O)C(Cl)=C1
UNII	GI6X21WSVN
Synonyms	3,5-dichloro-4-hydroxybenzonitrile, chloroxynil, 3,5-Dichloro-4-hydroxybenzonitrile, Chloroxynil, 1891-95-8, Benzonitrile, 3,5-dichloro-4-hydroxy-, 3,5-Dichloro-4-hydroxy-benzonitrile, Chloroxynil [ISO], Caswell No. 309A, UNII-GI6X21WSVN, EINECS 217-572-4, GI6X21WSVN, EPA Pesticide Chemical Code 309500, YRSSHOVRSMQULE-UHFFFAOYSA-N, MFCD00002177, W-206392, 3,5-dichloro-4-hydroxy benzonitrile, AC1L2MFU, AC1Q3LJI, AC1Q78BN, 4-Cyano-2,6-dichlorophenol, SCHEMBL136860, DTXSID8022167, YRSSHOVRSMQULE-UHFFFAOYSA-, KS-000003HS, ZINC1995116, ZX-AT016002, 6368AD, FCH919501, AKOS006222469, ACM1891958, MCULE-6465473907, OR17010, PB10008, RP08936, TRA0068815, 3,5-dichloro-4-hydroxybenzenecarbonitrile, AC-23657, AJ-32262, AK-82821, AN-50062, AS-31279, CJ-07294, CJ-30772, SC-39970, SY014614, AB0061085, AX8120978, DB-065681, LS-184914, TR-008765, CS-0051601, FT-0684813, ST50825282, C-8788, Chloroxynil, PESTANAL(R), analytical standard, MFCD00002177 (97+%), 891C958, C-33383, I01-10232, InChI=1/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H, Chloroxynil, 97% 1g, C7H3Cl2NO, 4-Chloroanilidophosphonic acid, C7-H3-Cl2-N-O, CID74685, AR-1I2086, 1810-67-9, 19317-09-0, 22821-77-8,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.959g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.007g/mol
Monoisotopic Mass	186.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301+H311+H331-H315-H319-H335-H412
Packing Group	Ⅲ
Precautionary statements	P261-P273-P280-P301+P310-P305+P351+P338-P311
UN Code	UN 2811

Certificate of Analysis

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