Nitrocyclohexan

Nitrocyclohexane

HCID 14285CAS 1122-60-7

Grundinformationen

Standard-SMILES
O=[N+]([O-])C1CCCCC1
InChIKey
NJNQUTDUIPVROZ-UHFFFAOYSA-N
Summenformel
C6H11NO2
Durchschnittliche Molmasse
129,16 g/mol
Monoisotopische Masse
129,07897859

Überblick

Nitrocyclohexane is a colorless liquid. (EPA, 1998)

Namen und Bezeichner

Bevorzugter Name
Nitrocyclohexane
IUPAC
nitrocyclohexane
Lokaler Name
Nitrocyclohexan
Englischer Name
Nitrocyclohexane
Summenformel
C6H11NO2
Molmasse
129.16

Namen und Synonyme

NITROCYCLOHEXANECyclohexane, nitro-1-nitrocyclohexaneCCRIS 7162HSDB 6414EINECS 214-354-0NSC 66277UNII-LL1X024M73BRN 0907243AI3-14828LL1X024M73NSC-66277
Weitere Namen anzeigen
NSC66277ai3-14828[qr]nitro-cyclohexanNitrocyclohexane>HEXAHYDRONITROBENZENE
DTXSID6061529CHEBI:741644-05-00-00081 (Beilstein Handbook Reference)Cyclohexane, nitroRefChem:166088DTXCID7033284214-354-0NJNQUTDUIPVROZ-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
1122-60-7
PubChem CID
14285
DTXSID
DTXSID6061529
ChEMBL
CHEMBL4590012
ChEBI
CHEBI:74164
UNII
LL1X024M73
EC Number
214-354-0
Nikkaji
J72.712A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,8
Polarare Oberfläche (TPSA)
45,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Nitros, Aliphatic

Flammable agents - 2nd degree

SpringerMaterials PropertiesChemical shift
Density · 3 Einträge

1.061 at 68 °F (EPA, 1998) - Denser than water; will sink

1.0610 at 20 °C/4 °C

1.0610 @ 20°C

SolubilitySol in alcohol, ligroin
Boiling Point · 3 Einträge

401.9 °F at 768 mmHg (EPA, 1998)

205.5 °C at 768 mm Hg

205.5 °C @760 [mm Hg]

Melting Point · 3 Einträge

-29 °F (EPA, 1998)

Freezing point: -34 °C

-34 °C

Physikochemische Eigenschaften

Schmelzpunkt
34 °C · −34 °C(lit.)
Siedepunkt
205.5 · 205.5-206 °C768 mm Hg(lit.)
Dichte
1.061 g/mL · 1.061 g/mL at 25 °C(lit.)
Dampfdichte
4.46 · 4.46 (vs air)
Dampfdruck
768 mm · 768 mm Hg ( 205 °C)
Brechungsindex
20 · n20/D 1.462(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (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.

Gefahrenhinweise

Regulatory InformationThe 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 LabelPoison Inhalation Hazard
Fire HazardsExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Health HazardsExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Hazards Summary · 1 Eintrag

No reports of human poisoning cases found; Causes seizures and liver injury in animal studies; [HSDB] At lethal concentrations, inhalation causes excitement, somnolence, muscle contractions, and fatty liver degeneration in mice; Causes convulsions in rats after feeding lethal doses; [RTECS] A strong oxidizing agent; [CAMEO] Highly toxic by inhalation; Effects in high-dose animal studies include convulsions; An irritant; [MSDSonline]

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Sicherheit und Schutzausrüstung

Fire Fighting · 1 Eintrag

(Non-Specific -- Poisonous Liquid, n.o.s.) Move container from fire area if you can do it without risk. Keep unnecessary people away; isolate hazard area and deny entry. Stay upwind; keep out of low areas. Wear positive pressure breathing apparatus and special protective clothing.

First AidNote: No information on specific clinical effects of exposure was available.
Nonfire Spill Response(Non-Specific -- Poisonous Liquid, n.o.s.) Do not touch spilled material; stop leak if you can do so without risk. Use water spray to reduce vapors. Absorb small spills with sand or other noncombustible absorbent materials.
Disposal Methods · 1 Eintrag

SRP: 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) · 3 Einträge

0.026 [ppm]

0.28 [ppm]

7.4 [ppm]

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Toxicity DataLCLo (rat) = 172 ppm/4h

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3382 6.1/PG 1
hs_code
29049090
RTECS-Nr.
GV6600000
risk_code
23/24/25-36/37/38

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCyclohexane, nitro-: ACTIVE

Vor- und nachgelagerte Produkte

Anbieter45 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group.

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