Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Nitrocyclohexane
RN: 1122-60-7
UNII: LL1X024M73
InChIKey: NJNQUTDUIPVROZ-UHFFFAOYSA-N

Molecular Formula

  • C6-H11-N-O2

Molecular Weight

  • 129.158
 

Classification Codes

Classification Code

  • Mutation Data

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 500 lb
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Nitrocyclohexane

Synonyms

  • 4-05-00-00081 (Beilstein Handbook Reference)
  • AI3-14828
  • BRN 0907243
  • CCRIS 7162
  • Cyclohexane, nitro-
  • EINECS 214-354-0
  • HSDB 6414
  • Nitrocyclohexane
  • NSC 66277
  • UNII-LL1X024M73

Systematic Names

  • Cyclohexane, nitro-
  • Nitrocyclohexane

Superlist Names

  • Cyclohexane, nitro-
  • Nitrocyclohexane

Registry Numbers

CAS Registry Number

  • 1122-60-7

FDA UNII

  • LL1X024M73

System Generated Number

  • 0001122607

Structure Descriptors

InChI

1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

NJNQUTDUIPVROZ-UHFFFAOYSA-N

Smiles

C1(CCCCC1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 7mg/m3/2H (7mg/m3) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 1, Pg. 85, 1961.
mouse LDLo oral 120mg/kg (120mg/kg)   Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 1, Pg. 85, 1961.
rabbit LDLo oral 100mg/kg (100mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 26(5), Pg. 9, 1961.
rat LCLo inhalation 172ppm/4H (172ppm) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0590060,
rat LDLo oral 100mg/kg (100mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 26(5), Pg. 9, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.40E+01 deg C   EXP
Boiling Point 205 deg C   EXP
log P (octanol-water) 2.230 (none)   EST
Atmospheric OH Rate Constant 4.69E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.