AG0033NK

1111-97-3 | 3-Chloro-3-methyl-1-butyne

AG0033NK

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CAS Number	1111-97-3
Catalog Number	AG0033NK(AGN-PC-0JL9UX)
Chemical Name	3-Chloro-3-methyl-1-butyne
EC Number	214-188-9
IUPAC Name	3-chloro-3-methylbut-1-yne
InChI	InChI=1S/C5H7Cl/c1-4-5(2,3)6/h1H,2-3H3
InChI Key	QSILYWCNPOLKPN-UHFFFAOYSA-N
MDL Number	MFCD00190221
Molecular Formula	C5H7Cl
Molecular Weight	102.5621
NSC Number	16173
SMILES	C#CC(C)(C)Cl
Synonyms	3-Chloro-3-methyl-1-butyne, 1111-97-3, 3-Chloro-3-methylbut-1-yne, 1-Butyne, 3-chloro-3-methyl-, 3-chloro-3-methylbutyne, 3-methyl-3-chlorobutyne, 2-chloro-2-methyl-3-butyne, 2-methyl-2-chloro-3-butyne, 3-Chloro-3-methyl-but-1-yne, QSILYWCNPOLKPN-UHFFFAOYSA-N, MFCD00190221, 3-Chloro-3-methyl-1-butyne, 96%, NSC16173, EINECS 214-188-9, NSC 16173, AI3-25133, AC1Q3GDN, ACMC-1BO5C, 2-chloro-2-methyl butyne, 3-chloro-3-methyl butyne, 3-chloro-3-methyl-butyne, AC1L2EM4, 3-chloro-3-methyl-1-butyn, 3-chloro-3,3-dimethylpropyn, 3-methyl-3-chlorobut-1-yne, KSC495C6H, a,a-Dimethylpropargyl chloride, SCHEMBL284084, 1,1-Dimethylpropargyl chloride, 1-Butyne,3-chloro-3-methyl-, 3-chloro-3-methyl -1-butyne, 3-chloro-3-methyl-1 -butyne, 3-chloro-3-methyl-but-1-ine, DTXSID2061488, CTK3J5163, 2-Methyl-3-butyn-2-yl chloride, ACN-S004499, KS-00000D2T, ZERO/001835, ZINC1238565, BBL102778, EBD221370, NSC-16173, SBB001932, STL556584, 3-Chloro-3-methyl-1-butyne, 97%, AKOS000278712, FS-4551, NE11360, RP18795, TRA0099335, AJ-25187, CJ-04801, SC-04442, ZB016136, RT-002375, FT-0694615, ST24042022, J-512208, J-650120, I14-16386, C5H7Cl, C5-H7-Cl, CID70679, AR-1F2567, 3-Chloro-3-methyl-1-butyne, 96% - 1G 1g, 112240-59-2,

Complexity	83.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	102.024g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	102.561g/mol
Monoisotopic Mass	102.024g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H302+H312+H332
Packing Group	Ⅱ
Precautionary statements	P210-P261-P280-P304+P340-P312
UN Code	UN 1993

Certificate of Analysis

Lot Number