CAS 1821-36-9 N-Cyclohexylaniline (HCID 74567)

Names & identifiers

Preferred name: N-Cyclohexylaniline
IUPAC: N-cyclohexylaniline
English name: N-Cyclohexylaniline
Molecular formula: C12H17N
Molecular weight: 175.27

Names & synonyms

N-CyclohexylanilineBenzenamine, N-cyclohexyl-CyclohexylphenylamineN-CyclohexylbenzenaminePhenylcyclohexylamineEINECS 217-344-4DTXSID6061997RefChem:163156DTXCID0035792217-344-4TXTHKGMZDDTZFD-UHFFFAOYSA-N1821-36-9

Show more names

N-CyclohexyIanilineN1-CYCLOHEXYLANILINEPHENYL CYCLOHEXYLAMINEN-Cyclohexylaniline,98%N-Phenylcyclohexanaminen-cyclohexyl-benzenamin

N-PhenylcyclohexylamineAniline, N-cyclohexyl-Cyclohexylamine, N-phenyl-Cyclohexanamine, N-phenyl-Diphenylamine, ar-hexahydro-cyclohexyl(phenyl)amineMFCD00014284N-Cyclohexyl-Benzenamine

Database identifiers

CAS: 1821-36-9
PubChem CID: 74567
DTXSID: DTXSID6061997
UNII: 949TFM4PMV
EC Number: 217-344-4
Nikkaji: J68.528C

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 132

Physicochemical properties

Melting point: 14 · 14-15°C
Boiling point: 191 · 191-192 °C (73 mmHg)
Density: 0.996 g/mL · 0.996 g/mL at 20 °C (lit.)
refractive index: 20 · n20/D 1.560
Flash point: 136 °C · 136 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 5.46 · 5.46±0.20(Predicted)
form: liquid
color: Orange
Water Solubility: Not miscible or difficult to mix in water.
BRN: 2209864 · 2209864
InChI: InChI=1S/C12H17N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
InChIKey: TXTHKGMZDDTZFD-UHFFFAOYSA-N
SMILES: C1(NC2CCCCC2)=CC=CC=C1
CAS DataBase Reference: 1821 · 1821-36-9(CAS DataBase Reference)
FDA UNII: 949 TFM4PMV · 949TFM4PMV
EPA Substance Registry System: N-Cyclohexylaniline (1821-36-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06
Signal word: Warning
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 23 · 23-36/37
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29214900 · 29214900
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 2 InhalationAcute · Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302+H312+H332 (74.6%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 177 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBenzenamine, N-cyclohexyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (99.4%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
hs_code: 29214900
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS06
hazard_code: Xn
safety_code: 23-36/37
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
target organs: Respiratory system
Hazard statements: H301-H315-H319-H335
Hazard Classifications: Acute Tox. 2 InhalationAcute Tox. 4 OralSkin Irrit. 2STOT SE 3
Precautionary statements: P261-P280a-P301+P310a-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenamine, N-cyclohexyl-: ACTIVE

Applications

UsesN-Cyclohexylaniline has been used as reagent in palladium-catalyzed amination of aromatic bromides. It is also used to produce N-cyclohexyl-N-phenyl-urea at ambient temperature.