1-Chloro-3,3-dimethylbutane

HCID 76111CAS 2855-08-5

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Basic information

Standard SMILES: CC(C)(C)CCCl
InChIKey: XGCKOSFYXBAPQM-UHFFFAOYSA-N
Molecular formula: C6H13Cl
Average molar mass: 120.62 g/mol
Monoisotopic mass: 120.0705781

Names & identifiers

Preferred name: 1-Chloro-3,3-dimethylbutane
IUPAC: 1-chloro-3,3-dimethylbutane
English name: 1-CHLORO-3,3-DIMETHYLBUTANE
Molecular formula: C6H13Cl
Molecular weight: 120.62

Names & synonyms

1-Chloro-3,3-dimethylbutane2855-08-5Neohexyl chlorideButane, 1-chloro-3,3-dimethyl-DTXSID90182768EINECS 220-665-2NSC 76580RefChem:75368DTXCID30105259220-665-2XGCKOSFYXBAPQM-UHFFFAOYSA-N3,3-Dimethylbutyl Chloride

Show more names

N-[(E)-(3-methylphenyl)methylideneamino]-2,4-dinitroaniline

1-Chloro-3,3-DiMethyl-ButaneMFCD00018980tert-BUTYLCHLOROETHYLENE4-Chloro-2,2-dimethylbutaneNSC-76580Butane,1-chloro-3,3-dimethyl-NSC76580SCHEMBL436635

Database identifiers

CAS: 2855-08-5
PubChem CID: 76111
DTXSID: DTXSID90182768
UNII: 79T86BR8ZW
EC Number: 220-665-2
Nikkaji: J306.783A

Properties

Computed structural properties

XLogP: 2.9
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: -35.1 °C · -35.1°C (estimate)
Boiling point: 116 · 116-118°C
Density: 0 · 0,867 g/cm3
refractive index: 1.42 · 1.4200
Flash point: 7 °C · 7°C
Water Solubility: Not miscible or difficult to mix in water.
BRN: 1731465 · 1731465
CAS DataBase Reference: 2855 · 2855-08-5(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P240-P241-P280a-P303+P361+P353-P501a
Risk Statements: 11 · 11
Safety Statements: 9 · 9-16-33
RIDADR: 1993 · 1993
HazardClass: 3 · 3
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): 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 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.