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HCID 14285Erstellt: 26. Oktober 2026

Nitrocyclohexan

NSC66277 · NSC 66277 · NSC-66277 · ai3-14828[qr] · nitro-cyclohexan · Nitrocyclohexane · 1-Nitrocyclohexane · Cyclohexane, nitro-

https://huagongshe.com/de/chemical/14285

Molekülstruktur von Nitrocyclohexan

Identifikatoren & physikalische Daten

CAS No.1122-60-7
SummenformelC6H11NO2
Durchschnittliche Molmasse129,16 g/mol
Monoisotopische Masse129,07897859 g/mol
SMILESO=[N+]([O-])C1CCCCC1
InChIKeyNJNQUTDUIPVROZ-UHFFFAOYSA-N
PubChem CID14285
ChEMBLCHEMBL4590012
ChEBICHEBI:74164
EC No.214-354-0
DTXSIDDTXSID6061529
Lokaler NameNitrocyclohexan

Chemische & physikalische Eigenschaften

XLogP1,8
Polarare Oberfläche (TPSA)45,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome9
Formalladung0
Komplexität102
StoffklassenNitrogen Compounds -> Nitros, AliphaticFlammable agents - 2nd degree
SpringerMaterials PropertiesChemical shift
Dichte1.061 at 68 °F (EPA, 1998) - Denser than waterwill sink1.0610 at 20 °C/4 °C1.0610 @ 20°C1.061 g/mL at 25 °C(lit.)
LöslichkeitSol in alcohol, ligroinsoluble in Alcohol
Siedepunkt401.9 °F at 768 mmHg (EPA, 1998)205.5 °C at 768 mm Hg205.5 °C @760 [mm Hg]205.5-206 °C768 mm Hg(lit.)
Schmelzpunkt-29 °F (EPA, 1998)Freezing point: -34 °C−34 °C(lit.)
Dampfdruck0.35 [mm Hg] @25 °C768 mm Hg ( 205 °C)
BrechungsindexIndex of refraction: 1.4612 at 19 °Cn20/D 1.462(lit.)
Physical DescriptionNitrocyclohexane is a colorless liquid. (EPA, 1998)[CAMEO] Pale yellow liquid[MSDSonline]
Other Experimental PropertiesCyclohexane/water partition coefficient -0.10 (log)
Dampfdichte4.46 (vs air)
Flammpunkt166 °F
LagerbedingungenStorage temp. 2-8°C
Aggregatzustandclear liquid
pKa (Säurekonstante)8.44±0.20(Predicted)
FarbeLight orange to Yellow to Green
Henry-Konstante2.4×10-1 mol/(m3Pa) at 25℃, Hilal et al. (2008)
EPA chemische InformationenNitrocyclohexane (1122-60-7)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT-KennzeichnungPoison Inhalation Hazard
BrandgefahrenExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
GesundheitsgefahrenExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
GefahrenübersichtNo reports of human poisoning cases foundCauses seizures and liver injury in animal studies[HSDB] At lethal concentrations, inhalation causes excitement, somnolence, muscle contractions, and fatty liver degeneration in miceCauses convulsions in rats after feeding lethal doses[RTECS] A strong oxidizing agent[CAMEO] Highly toxic by inhalationEffects in high-dose animal studies include convulsionsAn irritant[MSDSonline]
Reaktive GruppeNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Special ReportsUSEPAChemical Profile: Nitrocyclohexane (1985). Chemical safety information sheet on nitrocyclohexane.Loefroth G et alProg Clin Biol Res 209B: 149-55 (1986). Structure-activity relationship of nitroalkane-induced mutagenicity in the Ames Salmonella assay.
Reactivity AlertsStrong Oxidizing Agent
Reactivity ProfileNitroalkanes, such as NITROCYCLOHEXANE, 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 ReactionsNo rapid reaction with air. No rapid reaction with water.
Hazard Classes and CategoriesAcute Tox. 3 (100%)Flammable agents - 2nd degree, Reactive agents - 2nd degree
Brandbekämpfung(Non-Specific -- Poisonous Liquid, n.o.s.) Move container from fire area if you can do it without risk. Keep unnecessary people awayisolate hazard area and deny entry. Stay upwindkeep out of low areas. Wear positive pressure breathing apparatus and special protective clothing.
Erste HilfeNote: No information on specific clinical effects of exposure was available.
Freisetung ohne Brand(Non-Specific -- Poisonous Liquid, n.o.s.) Do not touch spilled materialstop leak if you can do so without risk. Use water spray to reduce vapors. Absorb small spills with sand or other noncombustible absorbent materials.
EntsorgungsverfahrenSRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Protective Action Criteria (PAC)0.026 [ppm]0.28 [ppm]7.4 [ppm]
Personal Protective Equipment (PPE)For emergency situations, wear a positive pressure, pressure-demand, full facepiece self-contained breathing apparatus (SCBA) or pressure- demand supplied air respirator with escape SCBA and a fully-encapsulating, chemical resistant suit. (EPA, 1998)
Unerwünschte WirkungenNeurotoxin - Other CNS neurotoxin
Toxicity DataLCLo (rat) = 172 ppm/4h
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
UN-TransportnummerUN 3382 6.1/PG 1
Zollcode29049090
RTECS-Nr.GV6600000
R-Sätze (R)23/24/25-36/37/38
GefahrensymboleT
Sicherheitshinweise (S)26-36/37/39-45
Gefahrenklasse6.1(b)
VerpackungsgruppeIII
Gefahrstoffdaten1122-60-7(Hazardous Substances Data)