1-Hexyne, 5-methyl-
Grundinformationen
- CAS
2203-80-7- Standard-SMILES
C#CCCC(C)C- InChIKey
HKNANEMUCJGPMS-UHFFFAOYSA-N- Summenformel
- C7H12
- Durchschnittliche Molmasse
- 96,17 g/mol
- Monoisotopische Masse
- 96,09390038
Namen und Bezeichner
- Bevorzugter Name
- 1-Hexyne, 5-methyl-
- IUPAC
- 5-methylhex-1-yne
- Englischer Name
- 5-Methyl-1-hexyne
- Summenformel
- C7H12
- Molmasse
- 96.17
Namen und Synonyme
5-Methyl-1-hexyne2203-80-71-Hexyne, 5-methyl-LRO6EA6HK1DTXSID80176499RefChem:433078DTXCID8098990627-853-75-methylhex-1-yneIsoamylacetyleneUNII-LRO6EA6HK1isohept-1-yne
Weitere Namen anzeigen
5-methyl-hex-1-yne1-hexyne,5-methyl-isopentylacetyleneHC≡CCH2CH2CH(CH3)25-Methyl-1-hexyne>5-Methyl-1-hexyne 97%5-METHYL-1-HEXYNE 99+%(CH3)2CH(CH2)2CequivCH
MFCD000416105-Methyl-1-hexyne, 97%HKNANEMUCJGPMS-UHFFFAOYSA-(CH3)2CH(CH2)2C.$.CHAKOS015841794M0271EN300-787592Q27283151
Datenbank-Bezeichner
- CAS
2203-80-7- PubChem CID
- 137490
- DTXSID
DTXSID80176499- UNII
- LRO6EA6HK1
- EC Number
- 627-853-7
- Nikkaji
- J132.797F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 71,3
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Physikochemische Eigenschaften
- Schmelzpunkt
- -124 °C · -124°C
- Siedepunkt
- 91 · 91-93°C
- Dichte
- 0 · 0,732 g/cm3
- Brechungsindex
- 1.4075 · 1.4075
- Flammpunkt
- -4 °C · -4°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Almost colorless
- Wasserlöslichkeit
- Not miscible in water.
- BRN
- 1731845 · 1731845
- Henry's Law Constant
- 2.8 · 2.8×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3
- InChIKey
- HKNANEMUCJGPMS-UHFFFAOYSA-N
- SMILES
- CC(C)CCC#C
- CAS Datenbank
- 2203 · 2203-80-7(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3295
- hs_code
- 2901.29.5000
- risk_code
- 11-65
- hazard_code
- F
- safety_code
- 16-29-33-62-9
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 2
Chemie und Industrie
Anwendungen
Verwenden5-Methyl-1-hexyne is used as pharmaceutical intermediates.
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