1-Bromohexadecane
Grundinformationen
- CAS
112-82-3- Standard-SMILES
CCCCCCCCCCCCCCCCBr- InChIKey
HNTGIJLWHDPAFN-UHFFFAOYSA-N- Summenformel
- C16H33Br
- Durchschnittliche Molmasse
- 305,34 g/mol
- Monoisotopische Masse
- 304,17656316
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromohexadecane
- IUPAC
- 1-bromohexadecane
- Englischer Name
- 1-Bromohexadecane
- Summenformel
- C16H33Br
- Molmasse
- 305.34
Namen und Synonyme
1-BROMOHEXADECANE112-82-3Hexadecyl bromideCetyl bromiden-Hexadecyl bromideHexadecane, 1-bromo-1-Hexadecyl bromiden-Hexadecyl-1-bromideDTXSID204939776GJI7GVAMNSC-4193DTXCID9029356
Weitere Namen anzeigen
1-BromhexadecanHexadecylbromidPalmitylbromide1-bromo-hexadecan
RefChem:75166204-008-7Hexadecane, bromo-bromohexadecanepalmityl bromideMFCD00000230Cetyl bromide, Hexadecyl bromideEINECS 204-008-7
Datenbank-Bezeichner
- CAS
112-82-3- PubChem CID
- 8213
- DTXSID
DTXSID2049397- ChEMBL
CHEMBL3188886- UNII
- 76GJI7GVAM
- EC Number
- 204-008-7
- Nikkaji
- J378F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 14
- Schwere Atome
- 17
- Formalladung
- 0
- Komplexität
- 123
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Physical Description
Liquid
Melting point = 18 deg C; [ChemIDplus] Colorless liquid; mp = 16-18 deg C; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 16 · 16-18 °C(lit.)
- Siedepunkt
- 190 °C11 · 190 °C11 mm Hg(lit.)
- Dichte
- 0.999 g/mL · 0.999 g/mL at 25 °C(lit.)
- Dampfdichte
- 10.6 · 10.6 (vs air)
- Dampfdruck
- 1 mm · <1 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.4609(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 77 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Hexadecane, 1-bromo-
Hexadecane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecane, 1-bromo- 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: 10-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/10277
Hexadecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [Alfa Aesar MSDS] See Hexadecane.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29033036
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 550,000 - <1,000,000 lb
Industry UsesCorrosion inhibitor
General Manufacturing Information
Not Known or Reasonably Ascertainable
Hexadecane, 1-bromo-: ACTIVE
Anwendungen
Verwenden1-Bromohexadecane has been used:in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chainsas extraction solvent in determination of endocrine-disrupting phenols (EDPs) in water samples by ultrasound-assisted emulsification microextraction (MS-USAEME) methodin the preparation of [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbentsin the synthesis of surfactant, N-hexadecyl ethylenediamine triacetic acid (HED3A)
Verwenden1-Bromohexadecane is used in the preparation of soluble carbon nano-onions by covalent functionalization with hexadecyl chains. It is also used to synthesize [2-(methacryloyloxy)ethyl]dimethylhexadecylammonium bromide monomer, required for the synthesis of novel methacrylate based adsorbents.
Darstellung
synthetischeSynthesis of 1-Bromohexadecane from hexadecanol by bromination: put hexadecanol into the reaction pot and stir, heat, melt and put in red phosphorus. Add bromine drop by drop at 100℃ with sufficient stirring on one side, control 120-130℃, about 6h drop by drop, continue the reaction and drain the hydrogen bromide. Cool to below 50 ℃, add saturated and sodium chloride, stirring and washing, resting stratification, parting off the lower waste stream, then wash with water to neutral, distillation, collect 220-230 ℃ (2kPa) fraction, to obtain 1-bromohexadecane.
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