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

CAS: 4704-77-2 Cat. No.: B133715 Peso molecular: 154.99 Beilstein Registry Number: 1719124 Número EC: 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

Descripción general

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

Sinónimos

(+/-)-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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504753004
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753004
• Sonrisas canónicas: 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
• Isómeros SMILES: C(C(CBr)O)O
• WGK Alemania: 3
• RTECS: TY3360000
• Peso molecular: 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
    • Clase Halohydrins
      • Subclass Bromohydrins

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: 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
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: light sensitive
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Peso molecular: 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

Referencias

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]