1,3-Dibromo-2-propanol - ≥95%,stabilized with Copper chip , CAS No.96-21-9

CAS: 96-21-9 Cat. No.: D100260 Molecular Weight: 217.89 EC Number: 202-489-8

GRADE & PURITY ≥95%, stabilized with Copper chip

Synonyms

SY012889 | STR07916 | MFCD00000216 | 1,3-dibromo-2-propylalcohol | 4-01-00-01496 (Beilstein Handbook Reference) | Glycerol 1,3-dibromohydrin | NSC636 | NSC-636 | alpha,alpha'-Dibromohydrin | Glycerol alpha,gamma-dibromohydrine | Q27893167 | methyl N-[(2S,

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

SY012889 | STR07916 | MFCD00000216 | 1, 3-dibromo-2-propylalcohol | 4-01-00-01496 (Beilstein Handbook Reference) | Glycerol 1, 3-dibromohydrin | NSC636 | NSC-636 | alpha, alpha'-Dibromohydrin | Glycerol alpha, gamma-dibromohydrine | Q27893167 | methyl N-[(2S,

Specifications & Purity

≥95%, stabilized with Copper chip

Storage

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504751292
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751292
• Canonical Smiles: C(C(CBr)O)Br
• IUPAC Name: 1,3-dibromopropan-2-ol
• InChIKey: KIHQZLPHVZKELA-UHFFFAOYSA-N
• INCHI: 1S/C3H6Br2O/c4-1-3(6)2-5/h3,6H,1-2H2
• Isomeric SMILES: C(C(CBr)O)Br
• WGK Germany: 3
• RTECS: UB0200000
• Molecular Weight: 217.89
• Reaxy-Rn: 1732074
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732074&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 Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - Bromohydrin - Organic oxygen compound - Hydrocarbon derivative - 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: Not available

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

Chemical and Physical Properties

• Sensitivity: Heat, light sensitive，Air sensitive
• Refractive Index: 1.5495
• Flash Point(°F): 116.6 °F
• Flash Point(°C): 47 °C
• Boil Point(°C): 219°C
• Molecular Weight: 217.890 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 217.876 Da
• Monoisotopic Mass: 215.879 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 28.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

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