AG00DFVN

556112-20-0 | 3,4-Dichlorophenylacetylene

AG00DFVN

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CAS Number	556112-20-0
Catalog Number	AG00DFVN(AGN-PC-0713EP)
Chemical Name	3,4-Dichlorophenylacetylene
IUPAC Name	1,2-dichloro-4-ethynylbenzene
InChI	InChI=1S/C8H4Cl2/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H
InChI Key	MJHFEHXRVNTQIL-UHFFFAOYSA-N
MDL Number	MFCD07783046
Molecular Formula	C8H4Cl2
Molecular Weight	171.0234
SMILES	C#CC1=CC=C(Cl)C(Cl)=C1
Synonyms	3,4-Dichlorophenylacetylene, 556112-20-0, 1,2-dichloro-4-ethynylbenzene, 1,2-Dichloro-4-ethynyl-Benzene, 3,4-Dichlorophenylethyne, SCHEMBL2236921, CTK1G8660, DTXSID70657328, MJHFEHXRVNTQIL-UHFFFAOYSA-N, 3,4-Dichlorophenylacetylene, 97%, KS-000018UV, Benzene, 1,2-dichloro-4-ethynyl-, MFCD07783046, ZINC58626232, AKOS010651451, PS-11897, AJ-113162, RT-008186, FT-0647186, A18903, K-9920,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.969g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.02g/mol
Monoisotopic Mass	169.969g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P273-P305+P351+P338
UN Code

Certificate of Analysis

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