Basic information
- CAS
2163-00-0- Standard SMILES
ClCCCCCCCl- InChIKey
OVISMSJCKCDOPU-UHFFFAOYSA-N- Molecular formula
- C6H12Cl2
- Average molar mass
- 155.06 g/mol
- Monoisotopic mass
- 154.03160574
Overview
1,6-dichlorohexane is a colorless liquid. (USCG, 1999)
Names & identifiers
- Preferred name
- 1,6-Dichlorohexane
- IUPAC
- 1,6-dichlorohexane
- English name
- 1,6-Dichlorohexane
- Molecular formula
- C6H12Cl2
- Molecular weight
- 155.07
Names & synonyms
1,6-DICHLOROHEXANE2163-00-0Hexane, 1,6-dichloro-DTXSID9044409NSC-60700YK75382Q85DTXCID7024409RefChem:73585218-491-7Hexamethylene dichlorideHexamethylene ChlorideMFCD00001020
Show more names
1,6-DichL6-Dichlorohexane1,6-dichloro-n-hexane
1,6-dichlorhexan1,6-dichloro-hexanhexane,1,6-dichloro-1,6-dichlorohexane,97%NSC60700Hexane,6-dichloro-1,6-dichloro hexane1,6-dichloro-hexane
Database identifiers
- CAS
2163-00-0- PubChem CID
- 16551
- DTXSID
DTXSID9044409- ChEMBL
CHEMBL3183456- UNII
- YK75382Q85
- EC Number
- 218-491-7
- Nikkaji
- J7.340G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 31.5
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Density
1.068 at 68 °F (USCG, 1999) - Denser than water; will sink
1.068 @25 °C
Flash Point165 °F (USCG, 1999)
Physical Description
1,6-dichlorohexane is a colorless liquid. (USCG, 1999)
Liquid
Colorless liquid; [CAMEO] Clear slightly yellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- -13 °C · -13 °C
- Boiling point
- 87 · 87-90 °C/15 mmHg (lit.)
- Density
- 1.068 g/mL · 1.068 g/mL at 25 °C (lit.)
- vapor pressure
- 11.3 Pa · 11.3Pa at 20℃
- refractive index
- 20 · n20/D 1.457(lit.)
Safety & regulation
GHS classification
GHS Classification
Danger
H304 (65.2%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 164 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Hexane, 1,6-dichloro-
Hexane, 1,6-dichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-dichloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 18-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5784
1,6-Dichlorohexane: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelClass 9
Fire HazardsSpecial Hazards of Combustion Products: Irritating vapors and toxic gases, such as hydrogen chloride and carbon monoxide, may be formed when involved in fire. (USCG, 1999)
Health HazardsExposure can cause irritation of eyes, nose and throat. (USCG, 1999)
Hazards Summary
May cause smarting and reddening of skin if spilled and allowed to remain on clothes; High vapor concentrations may cause mild smarting of eyes and respiratory system; [CHRIS] A skin irritant; [ECHA REACH Registrations] An irritant; [Sigma-Aldrich MSDS] See n-Butyl chloride.
Reactive Group
Chemistry & industry
Uses & manufacturing
UsesUsed as an intermediate; [EPA - TSCATS] Used as an intermediate and monomer; [ECHA REACH Registrations]
U.S. Production2023: <75,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexane, 1,6-dichloro-: ACTIVE
Applications
Uses1,6-Dichlorohexane is used in organic synthesis, it is an important chemical raw material.
General DescriptionColorless liquid.
Upstream & downstream products
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
15 records
Compound notes
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