2-Bromo-3-(bromomethyl)-2-methylbutane - CAS 49623-54-3

Name: 2-Bromo-3-(bromomethyl)-2-methylbutane
Brand: BOC Sciences
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Catalog:	BB071118
Product Name:	2-Bromo-3-(bromomethyl)-2-methylbutane
CAS:	49623-54-3
Synonyms:	Butane, 1,3-dibromo-2,3-dimethyl- (6CI,9CI); 1,3-Dibromo-2,3-dimethylbutane

Technical Data

IUPAC Name:	1,3-dibromo-2,3-dimethylbutane
Description:	2-Bromo-3-(bromomethyl)-2-methylbutane can be prepared by liquid phase reactions of anhydrous HBr with 3,3-dimethyl-1-butyne and by photobromination of alkylcyclopropanes.
Molecular Weight:	243.97
Molecular Formula:	C6H12Br2
Canonical SMILES:	CC(CBr)C(C)(C)Br
InChI:	InChI=1S/C6H12Br2/c1-5(4-7)6(2,3)8/h5H,4H2,1-3H3
InChI Key:	PROLBQBUEWXPSN-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	Colourless Oil
Storage:	4°C
References:	Griesbaum, K., et al. Liebigs Ann., 8, 1137 (1979); Shea, K. J., et al. J. Am. Chem. Soc., 95, 6728 (1973).

GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	68.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.92853
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.93058
Rotatable Bond Count:	2
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2