Grundinformationen
- CAS
3814-34-4- Standard-SMILES
CCC(CC)CBr- InChIKey
KKGUMGWNFARLSL-UHFFFAOYSA-N- Summenformel
- C6H13Br
- Durchschnittliche Molmasse
- 165,07 g/mol
- Monoisotopische Masse
- 164,02006252
Namen und Bezeichner
- Bevorzugter Name
- Pentane, 3-(bromomethyl)-
- IUPAC
- 3-(bromomethyl)pentane
- Lokaler Name
- 3-(Brommethyl)pentan
- Englischer Name
- 1-Bromo-2-ethylbutane
- Summenformel
- C6H13Br
- Molmasse
- 165.07
Namen und Synonyme
1-Bromo-2-ethylbutane3-(Bromomethyl)pentanePentane, 3-(bromomethyl)-Butane, 1-bromo-2-ethyl-2-Ethyl butyl bromideEINECS 223-302-6DTXSID8063200KKGUMGWNFARLSL-UHFFFAOYSA-RefChem:171425DTXCID9039446223-302-6InChI=1/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3
Weitere Namen anzeigen
2-Ethylbromobutane2-Ethyl-1-bromobutane3-(bromomethyl)-pentan1-Bromine-2-ethylbutane1-Bromo-2-ethylbutane,97%1-Bromo-2-ethylbutane 97%
KKGUMGWNFARLSL-UHFFFAOYSA-N3814-34-42-Ethylbutyl bromide3-bromomethyl-pentaneMFCD000002191-Bromo-2-ethylbutane (stabilized with Copper chip)2-ethylbutylbromide3-bromomethylpentane
Datenbank-Bezeichner
- CAS
3814-34-4- PubChem CID
- 77432
- DTXSID
DTXSID8063200- EC Number
- 223-302-6
- Nikkaji
- J143.941C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 31,2
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesOptical coefficient
Physikochemische Eigenschaften
- Schmelzpunkt
- -44.22 °C · -44.22°C (estimate)
- Siedepunkt
- 143 · 143-144 °C
- Dichte
- 1.179 g/mL · 1.179 g/mL at 25 °C(lit.)
- Brechungsindex
- 1.451 · 1.451-1.453
- Flammpunkt
- 35 °C · 35 °C
- storage temp.
- Refrigerator (+4°C) + Flammables area
- Aggregatzustand
- Liquid
- Wichte
- 1.179 · 1.179
- Farbe
- Clear colorless to light yellow
- InChI
- InChI=1S/C6H13Br/c1-3-6(4-2)5-7/h6H,3-5H2,1-2H3
- InChIKey
- KKGUMGWNFARLSL-UHFFFAOYSA-N
- SMILES
- CCC(CBr)CC
- CAS Datenbank
- 3814 · 3814-34-4(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · Pentane, 3-(bromomethyl)-(3814-34-4)
- EPA chemische Informationen
- 3 · Pentane, 3-(bromomethyl)- (3814-34-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 24-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/22320
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993
- hs_code
- 29033990
- risk_code
- 36/37/38-10
- hazard_code
- Xi,F
- safety_code
- 37/39-26-16-33-29
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPentane, 3-(bromomethyl)-: ACTIVE
Anwendungen
Verwenden1-Bromo-2-ethylbutane can be involved in the synthesis of biologically active molecules.
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