AG003FRL

75717-77-0 | 2,4-dichloro-1-ethynylbenzene

AG003FRL

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CAS Number	75717-77-0
Catalog Number	AG003FRL(AGN-PC-0NJPUH)
Chemical Name	2,4-dichloro-1-ethynylbenzene
IUPAC Name	2,4-dichloro-1-ethynylbenzene
InChI	InChI=1S/C8H4Cl2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
InChI Key	RMSZXRRYRZBYTC-UHFFFAOYSA-N
MDL Number	MFCD11655752
Molecular Formula	C8H4Cl2
Molecular Weight	171.0234
SMILES	C#CC1=CC=C(Cl)C=C1Cl
Synonyms	2,4-dichloro-1-ethynylbenzene, 2,4-Dichlorophenylacetylene, 75717-77-0, Benzene, 2,4-dichloro-1-ethynyl-, MFCD11655752, (2,4-dichlorophenyl)acetylene, SCHEMBL2783347, CTK2G8707, DTXSID70505299, RMSZXRRYRZBYTC-UHFFFAOYSA-N, KS-00000D7A, ZINC62605404, AKOS012333111, RP02654, TRA0079058, AM804326, AS-19687, CJ-20921, SY023558, AB0036809, DB-022203, CS-0038398, FT-0726812, Y4013, Z-3433, MFCD11655752 (97+%), J-507112, C8H4Cl2, ACN-043682, 2,4-dichloro-1-ethynylbenzene, 95% - 1G 1g,

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	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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