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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 75713Generated: October 26, 2026

1-Nitrocyclohexene

1-Nitrocyclohexene · 1-Nitrocyclohex-1-ene · Nitrocyclohexene · 1-NITRO-1-CYCLOHEXENE · Cyclohexene, 1-nitro- · 1-Nitro-1-cyclohexene 99% · 1-NITRO-1-CYCLOHEXENE ISO 9001：2015 REACH · Nitrocyclohexene, 1-: (1-Nitrocyclohex-1-ene)

https://huagongshe.com/en/chemical/75713

1-Nitrocyclohexene molecular structure

Identifiers & Physical Properties

CAS No.2562-37-0
Molecular formula[C6H9-NO2]
Average molar mass127.14 g/mol
Monoisotopic mass127.06332853 g/mol
SMILESO=[N+]([O-])C1=CCCCC1
InChIKeyDJBRXNRKYAWTBL-UHFFFAOYSA-N
PubChem CID75713
ChEBICHEBI:73802
EC No.219-883-0
DTXSIDDTXSID40180294

Chemical & Physical Properties

XLogP1.8
Topological polar surface area45.8
Hydrogen bond donors0
Hydrogen bond acceptors2
Rotatable bonds0
Heavy atoms9
Formal charge0
Complexity146
SpringerMaterials PropertiesCoriolis coupling
Boiling point66-68 °C/1.5 mmHg(lit.)
Density1.127 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.505(lit.)
Flash point79 °C
Storage conditions2-8°C
Physical stateliquid
InChI1S/C6H9NO2/c8-7(9)6-4-2-1-3-5-6/h4H,1-3,5H2
InChIKeyDJBRXNRKYAWTBL-UHFFFAOYSA-N
SMILES[O-][N+](=O)C1=CCCCC1
FDA UNIIH6PSH8C6BM
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH319
GHS precautionary statementsP264-P280-P305+P351+P338-P337+P313
Hazard symbolsXi
Risk statements (R)36
Safety statements (S)26
UN transport number2810
Water hazard class (WGK)3
Hazard class6.1(b)Eye Irrit. 2
Packing groupIII
Customs code2904200090
Storage class10 - Combustible liquids

Safety & Regulations

GHS classificationWarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and CategoriesEye Irrit. 2A (100%)
Protective Action Criteria (PAC)12 [mg/m3]130 [mg/m3]790 [mg/m3]
Water hazard class (WGK)3
UN transport number2810
Customs code2904200090
Risk statements (R)36
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi
Safety statements (S)26
Hazard class6.1(b)Eye Irrit. 2
Storage class10 - Combustible liquids
Packing groupIII
GHS hazard statementsH319
GHS precautionary statementsP264-P280-P305+P351+P338-P337+P313

Applications & Uses

Uses

1-Nitro-1-cyclohexene was used in the preparation of substituted anilines via chemoselective hydrogenation catalyzed by supported gold nanoparticles (Au/TiO2 and Au/Fe2O3).

General Description

Chemoselective hydrogenation of 1-nitro-1-cyclohexene catalyzed by gold nanoparticles supported on TiO2 or Fe2O3 has been reported.