CAS 1122-56-1 Cyclohexanecarboxamide (HCID 14283)

Overview

Cyclohexanecarboxamide is a carboximidic acid.

Names & identifiers

Preferred name: Cyclohexanecarboxamide
IUPAC: cyclohexanecarboxamide
English name: Cyclohexanecarboxamide
Molecular formula: C7H13NO
Molecular weight: 127.18

Names & synonyms

CYCLOHEXANECARBOXAMIDE1122-56-1HexahydrobenzamideCyclohexylcarboxamideCyclohexylcarboxyamideHexahydrobenzoic acid amideCyclohexyl carboxyamideNSC 16584EINECS 214-351-4BRN 05075958A54A97YCRNSC-16584

Show more names

CyclohexanamideHexahydrobenzamidTIMTEC-BB SBB008414CYCLOHEXYLMETHANAMIDELABOTEST-BB LT01594373

DTXSID10615284-09-00-00026 (Beilstein Handbook Reference)RefChem:580517DTXCID2033283214-351-4InChI=1/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9MFCD00009693Cyclohexaneformamide

Database identifiers

CAS: 1122-56-1
PubChem CID: 14283
DTXSID: DTXSID1061528
ChEMBL: CHEMBL366975
ChEBI: CHEBI:231034
UNII: 8A54A97YCR
EC Number: 214-351-4
Nikkaji: J55.430H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 105

Physicochemical properties

Melting point: 186 · 186-188 °C (lit.)
Boiling point: 235.98 °C · 235.98°C (rough estimate)
Density: 1.0083 · 1.0083 (rough estimate)
refractive index: 1.421 · 1.4210 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 16.76 · 16.76±0.20(Predicted)
InChI: 1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9)
InChIKey: PNZXMIKHJXIPEK-UHFFFAOYSA-N
SMILES: NC(=O)C1CCCCC1
CAS DataBase Reference: 1122 · 1122-56-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 8 A54A97YCR · 8A54A97YCR
NIST Chemistry Reference: Cyclohexanecarboxamide(1122-56-1)
EPA Substance Registry System: Cyclohexanecarboxamide (1122-56-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
RTECS: 7875500 · GU7875500
TSCA: TSCA listed
HS Code: 29242990 · 29242990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: GU7875500
hs_code: 29242990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-24/25
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationCyclohexanecarboxamide: ACTIVE

Applications

UsesThe enthalpy of dilution of cyclohexanecarboxamide in N,N-dimethylformamide was studied to evaluate the enthalpic interaction coefficient.

General DescriptionThe enthalpy of dilution of cyclohexanecarboxamide in N,N-dimethylformamide was studied to evaluate the enthalpic interaction coefficient.