Grundinformationen
- Standard-SMILES
CCCCCC[N+](=O)[O-]- InChIKey
FEYJIFXFOHFGCC-UHFFFAOYSA-N- Summenformel
- C6H13NO2
- Durchschnittliche Molmasse
- 131,17 g/mol
- Monoisotopische Masse
- 131,09462866
Überblick
1-nitrohexane is a clear colorless liquid. Insoluble in water. (NTP, 1992)
Namen und Bezeichner
- Bevorzugter Name
- 1-Nitrohexane
- IUPAC
- 1-nitrohexane
- Lokaler Name
- 1-Nitrohexan
- Englischer Name
- 1-NITROHEXANE
- Summenformel
- C6H13NO2
- Molmasse
- 131.17
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
25495-95-8、646-14-0- PubChem CID
- 12589
- DTXSID
DTXSID3025758- ChEMBL
CHEMBL1234594- ChEBI
CHEBI:89185- UNII
- 18XLQ74WTH
- EC Number
- 211-467-7
- Nikkaji
- J95.681C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 77,6
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 23.5 °C · 23.5°C (estimate)
- Siedepunkt
- 91 · 91-92 °C/24 mmHg (lit.)
- Dichte
- 0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.423(lit.)
- Flammpunkt
- 72 °C · 72 °C
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Dichloromethane, Chloroform, Ethyl Acetate, Methanol
- pka
- 8.65 · 8.65±0.29(Predicted)
- Aggregatzustand
- Clear Colourless Liquid
- BRN
- 1749466 · 1749466
- Henry's Law Constant
- 4.5 · 4.5×10-2 mol/(m3Pa) at 25℃, Hilal et al. (2008)
- Stabilität
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3
- InChIKey
- FEYJIFXFOHFGCC-UHFFFAOYSA-N
- SMILES
- CCCCCC[N+]([O-])=O
- EPA chemische Informationen
- 1 · 1-Nitrohexane (646-14-0)
Sicherheit und Regulatorisches
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Reactivity Profile
Nitroalkanes, such as 1-NITROHEXANE, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. Nitroalkanes are milder oxidizing agents, but still react violently with reducing agents at higher temperature and pressures. Nitroalkanes react with inorganic bases to form explosive salts. The presence of metal oxides increases the thermal sensitivity of nitroalkanes. Nitroalkanes with more than one nitro group are generally explosive. Nitroalkanes are insoluble in water. Flammable/combustible material. May be ignited by heat, sparks or flames.
Sicherheit und Schutzausrüstung
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: When working with this chemical, wear a NIOSH-approved full face chemical cartridge respirator equipped with the appropriate organic vapor cartridges. If that is not available, a half face respirator similarly equipped plus airtight goggles can be substituted. However, please note that half face respirators provide a substantially lower level of protection than do full face respirators. (NTP, 1992)
Sicherheitsdaten
- F
- 8
- wgk
- 3
- ridadr
- 2810
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1(b)
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
BeschreibungDas 1-Nitrohexan bildet eine farblose, wasserunlösliche Flüssigkeit. Die Substanz besitzt nur wissenschaftliches Interesse.
Verwenden1-Nitrohexane is used in method for preparing amine by reducing nitro compound with pinacolborane under catalysis of cyclic (alkyl) (amino) carbene chromium complex.
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