CAS 107-80-2 1,3-Dibromobutane (HCID 7889)

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Basic information

CAS: 107-80-2
Standard SMILES: CC(Br)CCBr
InChIKey: XZNGUVQDFJHPLU-UHFFFAOYSA-N
Molecular formula: C4H8Br2
Average molar mass: 215.91 g/mol
Monoisotopic mass: 213.89927446

Names & identifiers

Preferred name: 1,3-Dibromobutane
IUPAC: 1,3-dibromobutane
English name: 1,3-Dibromobutane
Molecular formula: C4H8Br2
Molecular weight: 215.91

Names & synonyms

1,3-DIBROMOBUTANEButane, 1,3-dibromo-EINECS 203-520-8DTXSID308704551,3ButylenebromideButane, 1,3dibromoRefChem:72603DTXCID50818177203-520-8XZNGUVQDFJHPLU-UHFFFAOYSA-N107-80-21,3 dibromobutane

Show more names

1,3-Dibrombutan1,3-dibromo-butanbutane,1,3-dibromo-1,3-Dibromobutane >1,3-DIBROMOBUTANE, 98+%1,3-Dibromobutane, 97+%

MFCD000001521,3-dibromo-butane1,3-Butylene BromideBR12401,3-Butylenebromide1,3-dibromo butane1,3-Dibromobutane, 97%SCHEMBL1137164

Database identifiers

CAS: 107-80-2
PubChem CID: 7889
DTXSID: DTXSID30870455
EC Number: 203-520-8
Nikkaji: J4.065G

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 28.7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesSchoenflies notation

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -25.98 °C · -25.98°C (estimate)
Boiling point: 175 °C · 175 °C (lit.)
Density: 1.8 g/mL · 1.8 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5080(lit.)
Flash point: 173 · 173-176°C
storage temp.: 2 · Storage temp. 2-8°C
form: clear liquid
color: Colorless to Light yellow
Water Solubility: INSOLUBLE
BRN: 1731231 · 1731231

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.