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1-Bromo-2-methoxy-2-methylpropane

1-Bromo-2-methoxy-2-methylpropane - CAS 19752-21-7

Catalog:	BB015263
Product Name:	1-Bromo-2-methoxy-2-methylpropane
CAS:	19752-21-7
Synonyms:	1-bromo-2-methoxy-2-methylpropane; 1-bromo-2-methoxy-2-methylpropane

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-bromo-2-methoxy-2-methylpropane
Description:	1-Bromo-2-methoxy-2-methylpropane (CAS# 19752-21-7) is a useful research chemical.
Molecular Weight:	167.04
Molecular Formula:	C5H11BrO
Canonical SMILES:	CC(C)(CBr)OC
InChI:	InChI=1S/C5H11BrO/c1-5(2,4-6)7-3/h4H2,1-3H3
InChI Key:	NBLDQRVLOJJCCJ-UHFFFAOYSA-N
Boiling Point:	141.617 °C at 760 mmHg
Density:	1.278 g/cm³
LogP:	1.80630

Publication Number	Title	Priority Date
US-2021107889-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021070090-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
CN-110964008-A	Substituted pyrazole fused ring derivative and preparation method and application thereof	20180930
WO-2020064009-A1	Substituted pyrazole fused ring derivative, preparation method therefor, and application thereof	20180930
CN-112771043-A	Substituted pyrazole fused ring derivative and preparation method and application thereof	20180930

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	52
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.99933
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.99933
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5