AG002VPA

2855-08-5 | 1-Chloro-3,3-dimethylbutane

AG002VPA

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CAS Number	2855-08-5
Catalog Number	AG002VPA(AGN-PC-0JLPSW)
Chemical Name	1-Chloro-3,3-dimethylbutane
EC Number	220-665-2
IUPAC Name	1-chloro-3,3-dimethylbutane
InChI	InChI=1S/C6H13Cl/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChI Key	XGCKOSFYXBAPQM-UHFFFAOYSA-N
MDL Number	MFCD00018980
Molecular Formula	C6H13Cl
Molecular Weight	120.6204
NSC Number	76580
SMILES	ClCCC(C)(C)C
Synonyms	1-Chloro-3,3-dimethylbutane, 2855-08-5, Neohexyl chloride, 3,3-Dimethylbutyl Chloride, Butane, 1-chloro-3,3-dimethyl-, XGCKOSFYXBAPQM-UHFFFAOYSA-N, MFCD00018980, 1-Chloro-3,3-DiMethyl-Butane, NSC76580, ACMC-1CLEX, AC1Q1MIL, AC1Q3UHJ, C6H13Cl, tert-BUTYLCHLOROETHYLENE, KSC561M9T, SCHEMBL436635, AC1L2Q77, Butane,1-chloro-3,3-dimethyl-, CTK4G1699, DTXSID90182768, ZINC1707952, EINECS 220-665-2, NSC-76580, SBB059953, AKOS000121262, MCULE-6806888253, RP00669, RTR-023369, CJ-28921, SC-41626, DB-047411, TR-023369, FT-0607610, ST50409654, Y8557, I14-8340, J-504504, 3,3- paragraph signthorn(1/4)x>>u-1-AE paragraph sign inverted exclamation markIe, Butane,3-dimethyl-, CID76111, AR-1C2321, ACN-054196, 1-Chloro-3,3-dimethylbutane, 97% 10g, 7065-46-5, 29450-07-5,

Complexity	42.6
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	120.071g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	120.62g/mol
Monoisotopic Mass	120.071g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H225-H302-H315-H319-H335
Packing Group	Ⅱ
Precautionary statements	P210-P261-P305+P351+P338
UN Code	UN 1993

Certificate of Analysis

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