2,2-Dibromopropane - ≥98%(GC) , CAS No.594-16-1

CAS: 594-16-1 Cat. No.: D155306 Formula: C₃H₆Br₂ Molecular Weight: 201.89 EC Number: 209-828-9

GRADE & PURITY ≥98%(GC)

Synonyms

2,2-DIBROMOPROPAN | InChI=1/C3H6Br2/c1-3(2,4)5/h1-2H | MFCD00000119 | T71108 | SCHEMBL1013573 | D1409 | J-802047 | Q5651169 | Propane, 2,2-dibromo- | 2-Dibrompropan | GH5NDU3B4E | DTXSID0060482 | EN300-651148 | AKOS015918333 | EINECS 209-828-9 | UNII-GH5N

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Synonyms

2,2-DIBROMOPROPAN | InChI=1/C3H6Br2/c1-3(2,4)5/h1-2H | MFCD00000119 | T71108 | SCHEMBL1013573 | D1409 | J-802047 | Q5651169 | Propane, 2,2-dibromo- | 2-Dibrompropan | GH5NDU3B4E | DTXSID0060482 | EN300-651148 | AKOS015918333 | EINECS 209-828-9 | UNII-GH5N

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

FedEx DG Service

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488181404

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181404

Canonical Smiles

CC(C)(Br)Br

IUPAC Name

2,2-dibromopropane

InChIKey

ARITXYXYCOZKMU-UHFFFAOYSA-N

INCHI

1S/C3H6Br2/c1-3(2,4)5/h1-2H3

Isomeric SMILES

CC(C)(Br)Br

Molecular Weight

201.89

Reaxy-Rn

1731162

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731162&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Class Organobromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Class: Organobromides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organobromides
• Alternative Parents: Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organobromide - Alkyl halide - Alkyl bromide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organobromides. These are compounds containing a chemical bond between a carbon atom and a bromine atom.
• 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: Light sensitive
• Refractive Index: 1.50
• Boil Point(°C): 113°C(lit.)
• Molecular Weight: 201.890 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 201.882 Da
• Monoisotopic Mass: 199.884 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 27.900
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 594-16-1, the molecular formula is C3H6Br2, and the molecular weight is 201.89 g/mol. InChIKey ARITXYXYCOZKMU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.