3-BROMO-1,2-PROPANEDIOL

Inquiry

Molecular Formula:

C3H7BrO2

Molecular Weight:

154.99

CAS Number:

4704-77-2

Catalog Number:

4704-77-2

Product Information

Molecular Formula:

C3H7BrO2

Molecular Weight:

154.99

Description

3-bromopropane-1,2-diol is a bromohydrocarbon.

Synonyms

ALPHA-GLYCEROL BROMOHYDRIN; 3-BROMO-1,2-PROPANEDIOL; 1,2-Propanediol, 3-bromo-; 3-bromo-2-propanediol; 3-Bromodeoxyglycerol; alpha-Bromohydrin; bromodeoxyglycerol; glycerolalpha-bromohydrin

IUPAC Name

3-bromopropane-1,2-diol

Canonical SMILES

C(C(CBr)O)O

InChI

InChI=1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2

InChI Key

SIBFQOUHOCRXDL-UHFFFAOYSA-N

Boiling Point

72-75 °C/0.2 mmHg (lit.)

Flash Point

235.4 °CF - closed cup

Purity

0.97

Density

1.771

Appearance

Pale Yellow Liquid

Application

Glycerol kinase substrate specificity

Storage

2-8°C

Refractive Index

n20/D 1.518 (lit.)

Safety Information

Hazards

H314

Precautionary Statement

P280 - P305 + P351 + P338 - P310

Computed Properties

XLogP3

-0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

153.96294 g/mol

Monoisotopic Mass

153.96294 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-6936926-B1	Solder alloys, solder powders, solder pastes, and solder fittings	2021-03-10
JP-2021087998-A	Flux and solder paste	2021-02-24
JP-6933825-B1	Flux and solder paste	2020-11-30
JP-6947998-B1	Flux and solder paste	2020-11-18
JP-6928294-B1	Solder paste	2020-10-02
JP-6928295-B1	Flux and solder paste	2020-10-02
JP-6928296-B1	Solder paste	2020-10-02
CN-114133519-A	Thermoplastic polyurethane elastomer and preparation method and application thereof	2020-09-04
JP-6892620-B1	Flux and solder paste	2020-09-01
JP-2022041335-A	Flux and solder paste	2020-09-01

Literatures

PMID	Publication Date	Title	Journal
11291749	2001-03-01	Synthesis and hydrolytic behaviour of glycerol-1,2-diibuprofenate-3-nitrate, a putative pro-drug of ibuprofen and glycerol-1-nitrate	The Journal of pharmacy and pharmacology
10329649	1999-05-21	The x-ray structure of epoxide hydrolase from Agrobacterium radiobacter AD1. An enzyme to detoxify harmful epoxides	The Journal of biological chemistry
8017917	1994-04-01	Characterization of a novel enantioselective halohydrin hydrogen-halide-lyase	Applied and environmental microbiology

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

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