AG003L79

7005-72-3 | 1-Chloro-4-phenoxybenzene

AG003L79

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CAS Number	7005-72-3
Catalog Number	AG003L79(AGN-PC-00UQEW)
Chemical Name	1-Chloro-4-phenoxybenzene
EC Number	230-281-7
IUPAC Name	1-chloro-4-phenoxybenzene
InChI	InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChI Key	PGPNJCAMHOJTEF-UHFFFAOYSA-N
MDL Number	MFCD00055431
Molecular Formula	C12H9ClO
Molecular Weight	204.6523
NSC Number	61839
SMILES	ClC1=CC=C(OC2=CC=CC=C2)C=C1
UN Number	3271
UNII	5AY689Y3GH
Synonyms	4-CDE, 4-chlorodiphenyl ether, 4-Chlorodiphenyl ether, 1-Chloro-4-phenoxybenzene, 7005-72-3, 4-Chlorophenyl phenyl ether, Benzene, 1-chloro-4-phenoxy-, p-Chlorodiphenyl oxide, Ether, p-chlorophenyl phenyl, P-CHLOROPHENYL PHENYL ETHER, Benzene, chlorophenoxy-, UNII-5AY689Y3GH, Monochloro diphenyl ether, Monochloro diphenyl oxide, Phenyl ether mono-chloro, ETHER, MONOCHLOROPHENYL, 5AY689Y3GH, PGPNJCAMHOJTEF-UHFFFAOYSA-N, AI3-01021, 55398-86-2, Chlorodiphenyl ether, Monochlorodiphenyl oxide, 4-Monochlorodiphenyl oxide, HSDB 6176, EINECS 230-281-7, NSC 61839, 4-chlorophenoxybenzene, PubChem1900, AI3-32895, AC1L2MCG, 4-chlorophenyl-phenyl ether, 1-chloro-4-phenoxy-benzene, DSSTox_CID_31019, DSSTox_GSID_52447, SCHEMBL196125, 4-Chlorodiphenyl ether, 99%, DTXSID2052447, CTK8C5197, KS-00002AUQ, ZINC389702, CS-M1172, NSC61839, Chlorodiphenyl ether (mixed isomers), Tox21_304039, ANW-74581, Ether, p-chlorophenyl phenyl (8CI), MFCD00055431, NSC-61839, AKOS015906217, MCULE-5077877710, PS-8132, NCGC00357246-01, AJ-20916, L696, LS-67873, ZB011831, CAS-7005-72-3, TR-024738, FT-0602620, ST24021297, ST50405264, Y-8935, 005C723, W-104571, 4-Chlorophenyl-phenyl ether 10 microg/mL in Methanol, Z1741957186, UNII-HAA2AN1TJD component PGPNJCAMHOJTEF-UHFFFAOYSA-N, InChI=1/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9, HAA2AN1TJD, UNII-HAA2AN1TJD, C12H9ClO, 4-Chlorophenyl-phenylether, C12-H9-Cl-O, Chlorophenyl phenyl ether, 4-, CID23436, 5-Fluoro-2-(methylsulfonyl)benzoic acid, 773873-55-5,

Complexity	158
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.034g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.653g/mol
Monoisotopic Mass	204.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H317-H318-H410
Packing Group	Ⅲ
Precautionary statements	P273-P280-P305+P351+P338-P501
UN Code	UN 3082

Certificate of Analysis

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