1-Nitrohexan

1-Nitrohexane

HCID 12589CAS 25495-95-8

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

1-NITROHEXANE646-14-0NitrohexaneHexane, 1-nitro-1-nitro-hexaneHexane, nitro-CCRIS 6262UNII-18XLQ74WTH18XLQ74WTHEINECS 211-467-7DTXSID302575825495-95-8
Weitere Namen anzeigen
1-Nitrohexane 98%1-NITROHEXANE, STANDARD FOR GC
NITROHEXANE, 1-DTXCID605758CHEBI:89185FEYJIFXFOHFGCC-UHFFFAOYSA-N-NITROHEXANERefChem:76592211-467-7FEYJIFXFOHFGCC-UHFFFAOYSA-N

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

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient
Density0.939 (NTP, 1992) - Less dense than water; will float
SolubilityInsoluble (NTP, 1992)
Boiling Point356 to 358 °F at 760 mmHg (NTP, 1992)
Physical Description1-nitrohexane is a clear colorless liquid. Insoluble in water. (NTP, 1992)

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Reactivity Profile · 1 Eintrag

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.

Air and Water ReactionsInsoluble in water.

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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 · 1 Eintrag

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.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE) · 1 Eintrag

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

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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