1-Bromo-2-methylbutane

HCID 25254

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Basic information

CAS: 10422-35-2
Standard SMILES: CCC(C)CBr
InChIKey: XKVLZBNEPALHIO-UHFFFAOYSA-N
Molecular formula: C5H11Br
Average molar mass: 151.04 g/mol
Monoisotopic mass: 150.00441245

Names & identifiers

Preferred name: 1-Bromo-2-methylbutane
IUPAC: 1-bromo-2-methylbutane
English name: 1-Bromo-2-methylbutane
Molecular formula: C5H11Br
Molecular weight: 151.04

Names & synonyms

1-BROMO-2-METHYLBUTANE10422-35-25973-11-5Butane, 1-bromo-2-methyl-2-Methylbutyl BromideDL-1-Bromo-2-methylbutane1-bromoisopentane(1)-1-Bromo-2-methylbutaneEINECS 227-768-19787127K0PDTXSID50870593UNII-9787127K0P

Show more names

2-METHYL BROMOBUTANE1-bromo-2-methyl-butanFr-0081TIMTEC-BB SBB0076691-broMo-2-Methy butane2-METHYL-1-BUTYL BROMIDE2-METHYL-1-BUTYL BROMIDE 97%(+-) 1-Bromo-2-methylbutane 95

2-METHYLBUTAN-1-YL BROMIDEButane, 1-bromo-2-methyl-, DL-Butane, 1-bromo-2-methyl-, (.+/-.)-RefChem:75078DTXCID20818301Butane, 1-bromo-2-methyl-, (+-)-1-BROMO-2-METHYLBUTANE, (+-)-227-768-1

Database identifiers

CAS: 10422-35-2、5973-11-5
PubChem CID: 25254
DTXSID: DTXSID50870593
ChEMBL: CHEMBL156329
UNII: 9787127K0P
EC Number: 227-768-1、600-538-1
Nikkaji: J95.692I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 6
Formal charge: 0
Complexity: 27.1

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -105.4 °C · -105.4°C (estimate)
Boiling point: 122.93 °C · 122.93°C (estimate)
Density: 1.214 · 1.2140
refractive index: 1.4426 · 1.4426
Flash point: 22 °C · 22 °C
Henry's Law Constant: 8.8 · 8.8×10-4 mol/(m3Pa) at 25℃, Nirmalakhandan and Speece (1988)
InChI: InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKey: XKVLZBNEPALHIO-UHFFFAOYSA-N
SMILES: C(C)(CBr)CC
CAS DataBase Reference: 10422 · 10422-35-2(CAS DataBase Reference)
FDA UNII: 9787127 K0P · 9787127K0P
NIST Chemistry Reference: 1 · Butane, 1-bromo-2-methyl-(10422-35-2)
EPA Substance Registry System: 1 · Butane, 1-bromo-2-methyl-(10422-35-2)
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · UN1993
HazardClass: 3 · 3
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 6 items

Danger

H225 (97.4%): Highly Flammable liquid and vapor [Danger 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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (97.4%)

Safety data

ridadr: UN1993
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 3
packing_group: II

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButane, 1-bromo-2-methyl-: ACTIVE

Applications

Uses1-Bromo-2-methylbutane is a reactant used in the preparation of a chiral diazenes. Also used in the synthesis of high-performance solar cell copolymers.