2-Bromoallyl alcohol - ≥97% , CAS No.598-19-6

CAS: 598-19-6 Cat. No.: B352406 Summenformel: C₃H₅BrO Molekulargewicht: 136.98 EG-Nummer: 626-494-3

GRADE & PURITY ≥97%

Synonyms

DTXSID50332227 | 2-Bromoallyl alcohol, 97% | 2-bromanylprop-2-en-1-ol | D84296 | MFCD09265077 | PD006311 | 2-BROMO-2-PROPENE-1-OL | Q27095138 | AKOS010094476 | AS-57254 | DB04320 | 2-bromo-2-propen-1-ol | J-802065 | FT-0655304 | EN300-160067 | MDFFZNIQPLK

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

DTXSID50332227 | 2-Bromoallyl alcohol, 97% | 2-bromanylprop-2-en-1-ol | D84296 | MFCD09265077 | PD006311 | 2-BROMO-2-PROPENE-1-OL | Q27095138 | AKOS010094476 | AS-57254 | DB04320 | 2-bromo-2-propen-1-ol | J-802065 | FT-0655304 | EN300-160067 | MDFFZNIQPLK

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504758861

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758861

Kanonisches Lächeln

C=C(CO)Br

IUPAC Name

2-bromoprop-2-en-1-ol

InChIKey

MDFFZNIQPLKQSG-UHFFFAOYSA-N

INCHI

1S/C3H5BrO/c1-3(4)2-5/h5H,1-2H2

Isomere SMILES

C=C(CO)Br

WGK Deutschland

3

Molekulargewicht

136.98

Reaxy-Rn

1736930

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1736930&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Klasse: Halohydrins
• Subclass: Bromohydrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromohydrins
• Alternative Parents: Vinyl bromides Bromoalkenes Primary alcohols Organobromides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Bromohydrin - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organobromide - Alcohol - Aliphatic acyclic compound
• Beschreibung: 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: organobromine compound - propenol

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive
• Brechungsindex: n20/D 1.5037
• Flammpunkt (°F): 168.8 °F
• Flammpunkt (°C): 76 °C
• Siedepunkt (°C): 58-62°C/100 mbar
• Molekulargewicht: 136.980 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.952 Da
• Monoisotopic Mass: 135.952 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 42.200
• 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