Hexane, 2,5-dichloro-2,5-dimethyl-

HCID 80360CAS 6223-78-5

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(Cl)CCC(C)(C)Cl
InChIKey: HSTAGCWQAIXJQM-UHFFFAOYSA-N
Molecular formula: C8H16Cl2
Average molar mass: 183.12 g/mol
Monoisotopic mass: 182.06290587

Names & identifiers

Preferred name: Hexane, 2,5-dichloro-2,5-dimethyl-
IUPAC: 2,5-dichloro-2,5-dimethylhexane
English name: 2,5-Dichloro-2,5-dimethylhexane
Molecular formula: C8H16Cl2
Molecular weight: 183.12

Names & synonyms

2,5-Dichloro-2,5-dimethylhexane6223-78-5DichlorodimethylhexaneHexane, 2,5-dichloro-2,5-dimethyl-NSC 408418EINECS 228-310-3AI3-23397DTXSID8064145RefChem:146118DTXCID3043283228-310-32,5-dichloro-2,5-dimethyl-hexane

Show more names

DCAD2,5-dichloro-2,5-dimethyl-hexan5-DIMETHYLHEXANE2,5-Dichlor-2,5-dimethylhexan6223-78-5 2,5-DICHLORO-2,5-DIMETHYLHEXANE C8H16Cl2

MFCD00126854C8H16Cl22,5-Dichloro-2,5-dimethylhexane-13C41391052-11-12,5-Dimethyl-2,5-dichlorohexane2,5-Dimethyl-2,5-dichlorohexane; NSC 408418NSC4084182,5-dichloro-dimethylhexane

Database identifiers

CAS: 6223-78-5
PubChem CID: 80360
DTXSID: DTXSID8064145
EC Number: 228-310-3
Nikkaji: J191.517G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 91.8

Experimental & physicochemical properties

SpringerMaterials PropertiesSurface tension

Physicochemical properties

Melting point: 63 · 63-64°C
Boiling point: 221.51 °C · 221.51°C (estimate)
Density: 1.0333 · 1.0333 (estimate)
refractive index: 1.4345 · 1.4345 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Chloroform (Sparingly), Dichloromethane, Diethyl Ether; Ethyl Acetate, Methanol
form: Solid
color: White to Pale Beige
InChI: InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3
InChIKey: HSTAGCWQAIXJQM-UHFFFAOYSA-N
SMILES: CC(Cl)(C)CCC(Cl)(C)C
EPA Substance Registry System: 2 · Hexane, 2,5-dichloro-2,5-dimethyl- (6223-78-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
TSCA: TSCA listed
HS Code: 2903190090 · 2903190090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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

Regulatory InformationChemical: Hexane, 2,5-dichloro-2,5-dimethyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

Safety data

tsca: TSCA listed
hs_code: 2903190090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302-H315-H320-H335
Precautionary statements: P264-P270-P301+P312-P330

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationHexane, 2,5-dichloro-2,5-dimethyl-: INACTIVE

Applications

Uses2,5-Dichloro-2,5-dimethylhexane is a useful reagent for the preparation of substituted bis-2-indenyl metallocene compounds as catalysts for olefin polymerization.