1-Bromo-3,3-dimethylbutane

HCID 137137

Notes Reactions

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Basic information

CAS: 1647-23-0
Standard SMILES: CC(C)(C)CCBr
InChIKey: ROKZAMCDHKVZIQ-UHFFFAOYSA-N
Molecular formula: C6H13Br
Average molar mass: 165.07 g/mol
Monoisotopic mass: 164.02006252

Names & identifiers

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

Names & synonyms

1-Bromo-3,3-dimethylbutane1647-23-0Butane, 1-bromo-3,3-dimethyl-BrCH2CH2C(CH3)3DTXSID60167800RefChem:75085DTXCID6090291800-293-2ROKZAMCDHKVZIQ-UHFFFAOYSA-N1-bromo-3,3-dimethyl-butaneMFCD000608441-bromo-3,3-dimethylbutane HBr

Show more names

3-DIMETHYLBUTANE1-Brom-3,3-dimethylbutan1-Bromo-3,3-dimethlybutaneButane,1-bromo-3,3-dimethyl-

NEOHEXYL BROMIDE3,3-dimethyl-bromobutane3,3-dimethylbutyl bromide3,3-dimethyl-1-bromobutaneSCHEMBL3749431-bromo-3,3-dimethyl butaneSCHEMBL1941673SCHEMBL5533369

Database identifiers

CAS: 1647-23-0
PubChem CID: 137137
DTXSID: DTXSID60167800
EC Number: 800-293-2
Nikkaji: J3.221.759A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 7
Formal charge: 0
Complexity: 42.6

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: 1.1497 · 1.1497
refractive index: 1.4424 · 1.4424
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Almost colorless
InChI: InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChIKey: ROKZAMCDHKVZIQ-UHFFFAOYSA-N
SMILES: C(Br)CC(C)(C)C
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Danger
Hazard statements: 335 · H335-H225-H302-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (33.3%)

Safety data

hs_code: 2903998090
Signal word: Danger
Symbol(GHS): GHS07,GHS02
Hazard statements: H335-H225-H302-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501