3-Bromo-1,2-propanediol - ≥97% , CAS No.4704-77-2

CAS: 4704-77-2 Cat. No.: B133715 Molecular Weight: 154.99 Beilstein Registry Number: 1719124 EC Number: 225-186-2

GRADE & PURITY ≥97%

Synonyms

(+/-)-Glycerol 1-bromohydrin | .alpha.-Bromohydrin | BP-21425 | FT-0694613 | 2,3-dihydroxyl-n-propyl bromide | bromopropane-2,3-diol | AS532NK8NE | 3-bromo-propan-1,2-diol | FT-0690329 | Bromodeoxyglycerol | BS-28661 | CHEBI:18719 | EN300-214063 | MFCD000

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

3-Bromo-1,2-propanediol is a bromomethylethylene ketal that can be cleaved under neutral conditions. it can act as a protecting group reagent for carbonyl functions.
Protecting reagent for carbonyl functions.

Specifications

Synonyms

(+/-)-Glycerol 1-bromohydrin | .alpha.-Bromohydrin | BP-21425 | FT-0694613 | 2, 3-dihydroxyl-n-propyl bromide | bromopropane-2, 3-diol | AS532NK8NE | 3-bromo-propan-1, 2-diol | FT-0690329 | Bromodeoxyglycerol | BS-28661 | CHEBI:18719 | EN300-214063 | MFCD000

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504753004
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753004
• Canonical Smiles: C(C(CBr)O)O
• IUPAC Name: 3-bromopropane-1,2-diol
• InChIKey: SIBFQOUHOCRXDL-UHFFFAOYSA-N
• INCHI: 1S/C3H7BrO2/c4-1-3(6)2-5/h3,5-6H,1-2H2
• Isomeric SMILES: C(C(CBr)O)O
• WGK Germany: 3
• RTECS: TY3360000
• Molecular Weight: 154.99
• Beilstein: 1719124
• Reaxy-Rn: 1719124
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719124&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Halohydrins
      • Subclass Bromohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Halohydrins
• Subclass: Bromohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromohydrins
• Alternative Parents: Secondary alcohols 1,2-diols Primary alcohols Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Bromohydrin - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organobromide - Alkyl halide - Alkyl bromide - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as bromohydrins. These are alcohols substituted by a bromine atom at a saturated carbon atom otherwise bearing only hydrogen or hydrocarbyl groups.
• External Descriptors: bromohydrocarbon

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Molecular Weight: 154.990 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 153.963 Da
• Monoisotopic Mass: 153.963 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 32.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Haifeng Zhang, Mengyu Tang, Yilei Fang, Xin Yu, Ranwen Ou.  (2026)  Understanding aliphatic and phenolic hydroxyl functionalities in UiO-66-p-OHs for selective boron extraction from saline water.  DESALINATION,      [PMID:] [10.1016/j.desal.2026.120087]