1,6-Dibromhexan
1,6-Dibromohexane
Grundinformationen
- CAS
629-03-8- Standard-SMILES
BrCCCCCCBr- InChIKey
SGRHVVLXEBNBDV-UHFFFAOYSA-N- Summenformel
- C6H12Br2
- Durchschnittliche Molmasse
- 243,97 g/mol
- Monoisotopische Masse
- 241,93058
Namen und Bezeichner
- Bevorzugter Name
- 1,6-Dibromohexane
- IUPAC
- 1,6-dibromohexane
- Lokaler Name
- 1,6-Dibromhexan
- Englischer Name
- 1,6-Dibromohexane
- Summenformel
- C6H12Br2
- Molmasse
- 243.97
Namen und Synonyme
1,6-Dibromohexane629-03-8Hexamethylene dibromide1,6-Dibromo-n-hexaneHEXANE, 1,6-DIBROMO-1,6-Dibromohexanalpha,omega-Dibromohexane1,6-Dibromohexan [German]Dibromo-1,6 hexaneDTXSID4044452NSC 7306EINECS 211-067-2
Weitere Namen anzeigen
1,6-Dibromhexan6-Dibromohexane1,6-dibromo-hexan1,6-DibromotexaneHexane,1,6-dibromo-1,6-Dibromohexane,98%
BRN 1236322AI3-11008Hexane, 1,6-dibromoNSC-73067L71Q7Y2304-01-00-00354 (Beilstein Handbook Reference)DTXCID2024452UNII-7L71Q7Y230
Datenbank-Bezeichner
- CAS
629-03-8- PubChem CID
- 12368
- DTXSID
DTXSID4044452- ChEMBL
CHEMBL3559826- UNII
- 7L71Q7Y230
- EC Number
- 211-067-2
- Nikkaji
- J68.586K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 31,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesDensity
Density1.6025 @25 °C
Boiling Point245.5 °C @760 [mm Hg]
Melting Point-1.2 °C
Physical Description
Liquid
Clear brown liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -2 · -2-2.5 °C (lit.)
- Siedepunkt
- 243 °C · 243 °C (lit.)
- Dichte
- 1.586 g/mL · 1.586 g/mL at 25 °C (lit.)
- Dampfdruck
- 1 hPa · <1 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.507(lit.)
- Flammpunkt
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 40.9% (52 of 127) of reports.
Danger
H300 (39.4%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 127 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Hexane, 1,6-dibromo-
Hexane, 1,6-dibromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 1,6-dibromo- 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)
REACH registered substance: 1,6-dibromohexane (EC: 211-067-2)
1,6-Dibromohexane: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mild skin and eye irritant; Intraperitoneal LD50 (mouse) = 270 mg/kg; [RTECS] May cause skin sensitization; Harmful by ingestion; [ECHA REACH Registrations] A mild skin irritant; May cause skin sensitization; Highly toxic by ingestion; [Sigma-Aldrich MSDS] Search for (629-03-8[EC/RN Number]) AND (dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See 1,3-Dibromopropane, 1,4-Dibromobutane, 1,5-Dibromopentane, and 1,8-Dibromooctane.
Hazard Classes and CategoriesAcute Tox. 2 (39.4%)
Sicherheit und Schutzausrüstung
Chemie und Industrie
Verwendung und Herstellung
UsesUsed to make fine chemicals; [ECHA REACH Registrations]
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Hexane, 1,6-dibromo-: ACTIVE
Anwendungen
Verwenden1,6-Dibromohexane is used as a reagent in the synthesis of novel benzo[b]xanthone derivatives which have a potential antitumor activity. It is also used as a cross-linker for the cross-linking of glycuronans.
Darstellung
synthetische1,6-Dibromohexane is synthesized from hexanediol by bromination.
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