Butane, 1,1-dibromo-

HCID 143885

Notes Reactions

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Basic information

CAS: 62168-25-6
Standard SMILES: CCCC(Br)Br
InChIKey: ZRSKKRWCHNPOPE-UHFFFAOYSA-N
Molecular formula: C4H8Br2
Average molar mass: 215.91 g/mol
Monoisotopic mass: 213.89928

Names & identifiers

Preferred name: Butane, 1,1-dibromo-
IUPAC: 1,1-dibromobutane
English name: 1,1-dibromobutane
Molecular formula: C4H8Br2
Molecular weight: 215.91

Names & synonyms

Butane, 1,1-dibromo-62168-25-6DTXSID50211220RefChem:1080245DTXCID501337111,1-dibromobutanedibromopropyl carbon1,1-dibromo-butaneSCHEMBL69274SCHEMBL959277SCHEMBL959278SCHEMBL11253631

Show more names

SCHEMBL11840838SCHEMBL14839975WYYLXUBGOGRJGD-UHFFFAOYSA-NDB-363043InChI=1/C4H8Br2/c1-2-3-4(5)6/h4H,2-3H2,1H

Database identifiers

CAS: 62168-25-6
PubChem CID: 143885
DTXSID: DTXSID50211220
Nikkaji: J90.189J

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 26

Physicochemical properties

Melting point: -25.98 °C · -25.98°C (estimate)
Boiling point: 169.88 °C · 169.88°C (estimate)
Density: 1.784 · 1.7840
refractive index: 1.4965 · 1.4965

Chemistry & industry

Upstream & downstream products

Downstream products

N-(4-Bromobutyl)phthalimide

Related reactions

4 records

New reaction record

HRID 144295As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 293549As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 664466As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 683617As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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