Grundinformationen
- Standard-SMILES
CCCCCCCCCCBr- InChIKey
MYMSJFSOOQERIO-UHFFFAOYSA-N- Summenformel
- C10H21Br
- Durchschnittliche Molmasse
- 221,18 g/mol
- Monoisotopische Masse
- 220,08266277
Namen und Bezeichner
- Bevorzugter Name
- 1-Bromodecane
- IUPAC
- 1-bromodecane
- Englischer Name
- 1-Bromodecane
- Summenformel
- C10H21Br
- Molmasse
- 221.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
112-29-8- PubChem CID
- 8173
- DTXSID
DTXSID9051581- ChEMBL
CHEMBL3559832- UNII
- Y2JDF9ZCB6
- EC Number
- 203-955-3
- Nikkaji
- J5.209D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 61,9
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
Clear, light yellow liquid; [Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- -29.6 °C · -29.6 °C
- Siedepunkt
- 238 °C · 238 °C(lit.)
- Dichte
- 1.066 g/mL · 1.066 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.456(lit.)
- Flammpunkt
- 202 °F · 202 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform, Ethyl Acetate (Slightly)
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to slightly yellow
- Wasserlöslichkeit
- SLIGHTLY SOLUBLE
- BRN
- 1735227 · 1735227
- Henry's Law Constant
- 1.7 · 1.7×10-4 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- Dielectric constant
- 4.4 · 4.4(24℃)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
- InChI
- 1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
- InChIKey
- MYMSJFSOOQERIO-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCBr
- CAS Datenbank
- 112 · 112-29-8(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · Decane, 1-bromo-(112-29-8)
- EPA chemische Informationen
- 1 · Decane, 1-bromo- (112-29-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (15.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Decane, 1-bromo-
Decane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decane, 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: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5308
Decane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
13 [mg/m3]
150 [mg/m3]
880 [mg/m3]
Toxikologische Informationen
Sicherheitsdaten
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 2810
- hs_code
- 29033036
- RTECS-Nr.
- HD6850000
- risk_code
- 36/37/38
- Toxizität
- LD50 orally in Rabbit: > 2000 mg/kg
- safety_code
- 23-24/25
- hazard_class
- 6.1
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Miscellaneous Manufacturing
Decane, 1-bromo-: ACTIVE
Anwendungen
Verwenden1-Bromodecane is used to produce decanal. It is also used in organic synthesis.
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