1-Bromo-3-methylpentane

HCID 39899

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Basic information

CAS: 51116-73-5
Standard SMILES: CCC(C)CCBr
InChIKey: MDCCBJLCTOTLKM-UHFFFAOYSA-N
Molecular formula: C6H13Br
Average molar mass: 165.07 g/mol
Monoisotopic mass: 164.02006252

Names & identifiers

Preferred name: 1-Bromo-3-methylpentane
IUPAC: 1-bromo-3-methylpentane
English name: 1-Bromo-3-methylpentane
Molecular formula: C6H13Br
Molecular weight: 165.07

Names & synonyms

1-BROMO-3-METHYLPENTANE51116-73-5Pentane, 1-bromo-3-methyl-BrCH2CH2CH(CH3)C2H5RefChem:75112MDCCBJLCTOTLKM-UHFFFAOYSA-N3-methyl-1-pentylbromide1-Bromo-3-methyl-pentaned-1-Bromo-3-methylpentaneSCHEMBL793184SCHEMBL1967165SCHEMBL7873012

Show more names

3-Methylpentylbromide3-ethyl-1-butyl broMide

SCHEMBL28847849DTXSID60871394MFCD02258487AKOS006276311EN300-674089A1-03544

Database identifiers

CAS: 51116-73-5
PubChem CID: 39899
DTXSID: DTXSID60871394
EC Number: 114-689-1
Nikkaji: J101.537K

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 35.2

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -44.22 °C · -44.22°C (estimate)
Boiling point: 147.26 °C · 147.26°C (estimate)
Density: 1.177 · 1.1770
refractive index: 1.4415 · 1.4415
Henry's Law Constant: 2.3 · 2.3×10-4 mol/(m3Pa) at 25℃, English and Carroll (2001)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.