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1,3-Dibromo-2,2-dimethoxypropane

1,3-Dibromo-2,2-dimethoxypropane - CAS 22094-18-4

Catalog:	BB017365
Product Name:	1,3-Dibromo-2,2-dimethoxypropane
CAS:	22094-18-4
Synonyms:	1,3-dibromo-2,2-dimethoxypropane; 1,3-dibromo-2,2-dimethoxypropane

Technical Data

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Computed Properties

IUPAC Name:	1,3-dibromo-2,2-dimethoxypropane
Description:	1,3-Dibromo-2,2-dimethoxypropane (CAS# 22094-18-4) is a useful research chemical.
Molecular Weight:	261.94
Molecular Formula:	C5H10Br2O2
Canonical SMILES:	COC(CBr)(CBr)OC
InChI:	InChI=1S/C5H10Br2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3
InChI Key:	CPAHOXOBYHMHDT-UHFFFAOYSA-N
Boiling Point:	254.1 °C at 760 mmHg
Density:	1.743 g/cm³
MDL:	MFCD00051792
LogP:	1.76530

Publication Number	Title	Priority Date
CN-113248442-A	Preparation method of ergothioneine key intermediate	20210519
WO-2021088992-A1	Tetrahydroisoquinoline spiro compound as prmt5 inhibitor	20191107
US-2021053961-A1	Substituted benzyl-triazole compounds for cbl-b inhibition, and further uses thereof	20190626
WO-2020264398-A1	Substituted benzyl-triazole compounds for cbl-b inhibition, and further uses thereof	20190626
WO-2019133605-A1	Process for the preparation of an amino-pyrimidine and intermediates thereof	20171226

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	67.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.90271
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.90475
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4