AG003JB9

766-83-6 | 3-Chlorophenyl acetylene

AG003JB9

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CAS Number	766-83-6
Catalog Number	AG003JB9(AGN-PC-0JLO8P)
Chemical Name	3-Chlorophenyl acetylene
IUPAC Name	1-chloro-3-ethynylbenzene
InChI	InChI=1S/C8H5Cl/c1-2-7-4-3-5-8(9)6-7/h1,3-6H
InChI Key	GRBJPHPMYOUMJV-UHFFFAOYSA-N
MDL Number	MFCD03839984
Molecular Formula	C8H5Cl
Molecular Weight	136.5783
SMILES	ClC=1C=C(C=CC1)C#C
Synonyms	766-83-6, 1-Chloro-3-ethynylbenzene, 3-Chlorophenyl acetylene, 3-Chlorophenylacetylene, 3'-CHLOROPHENYL ACETYLENE, 3-Chloro-1-ethynylbenzene, Benzene, 1-chloro-3-ethynyl-, m-Chlorophenylacetylene, 1-chloro-3-ethynyl-benzene, 3'-Chlorophenylacetylene, 3-Chloro phenyl acetylene, (3-Chlorophenyl)acetylene, 3-Chlorophenylacetylene, 97%, MFCD03839984, ethynyl-3-chlorobenzene, PubChem14083, ACMC-20a0ex, AC1L3VTU, AC1Q3LJF, 1-ethynyl-3-chlorobenzene, AC1Q3K0D, 1-ethynyl-3-chloro-benzene, 3-chloro-1-ethynyl-benzene, KSC491I8B, SCHEMBL560108, CTK3J1480, DTXSID60227413, GRBJPHPMYOUMJV-UHFFFAOYSA-N, 3-Chloro-1-ethynylbenzene, 97%, ZINC2513044, ANW-51463, SBB064132, AKOS010651604, AS06787, CC-1089, CS-W004103, MCULE-2049374347, PS-5780, RP20309, RTR-024553, TRA0005240, AJ-36775, AK-47344, AN-47508, BR-47344, CJ-08680, SC-26325, AB0007427, ST2417660, TL8005256, TR-024553, 4CH-014489, A9720, AM20060725, FT-0630070, W8345, S-1513, 766C836, Q-102451, Z1655186343, C8H5Cl, C8-H5-Cl, AR-1J3889, CID123086, 3-Chlorophenylacetylene, 97% - 1G 1g, Benzene, 1-chloro-3-ethynyl- (6CI, 7CI, 8CI, 9CI), 80858-92-0,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	136.008g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	136.578g/mol
Monoisotopic Mass	136.008g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 1993

Certificate of Analysis

Lot Number