4-Decylaniline

HCID 92309

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 37529-30-9
Standard SMILES: CCCCCCCCCCc1ccc(N)cc1
InChIKey: WGENWPANMZLPIH-UHFFFAOYSA-N
Molecular formula: C16H27N
Average molar mass: 233.39 g/mol
Monoisotopic mass: 233.21434986

Names & identifiers

Preferred name: 4-Decylaniline
IUPAC: 4-decylaniline
English name: 4-n-Decylaniline
Molecular formula: C16H27N
Molecular weight: 233.39

Names & synonyms

4-Decylaniline37529-30-94-n-DecylanilineBenzenamine, 4-decyl-p-Decylanilinep-n-Decylaniline4-decylphenylamineEINECS 253-546-9UNII-25X74W976X4-DECYLBENZENAMINE25X74W976XDTXSID9022287

Show more names

4-N-Decylanitine4-DecyphenylamineTIMTEC-BB SBB0077204-Decylaniline ,97%(4-decylphenyl)amine4-N-DECYLANILINE 98%

RefChem:98692DTXCID802287253-546-9WGENWPANMZLPIH-UHFFFAOYSA-NMFCD00007918C16H27N4-Decylaniline, 97%SCHEMBL111357

Database identifiers

CAS: 37529-30-9
PubChem CID: 92309
DTXSID: DTXSID9022287
UNII: 25X74W976X
EC Number: 253-546-9
Nikkaji: J150.044I

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 9
Heavy atoms: 17
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 25 °C · 25 °C (lit.)
Boiling point: 218 · 218-220 °C/14 mmHg (lit.)
Density: 0.8952 · 0.8952 (estimate)
refractive index: 1.51 · 1.5100
Flash point: 230 °F · >230 °F
pka: 4.96 · 4.96±0.10(Predicted)
form: clear liquid
color: Colorless to Brown
Water Solubility: Insoluble in water.
Sensitive: Air Sensitive
BRN: 2721403 · 2721403
InChI: 1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
InChIKey: WGENWPANMZLPIH-UHFFFAOYSA-N
SMILES: CCCCCCCCCCc1ccc(N)cc1
CAS DataBase Reference: 37529 · 37529-30-9(CAS DataBase Reference)
FDA UNII: 25 X74W976X · 25X74W976X
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H400
Precautionary statements: 273 · P273-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RIDADR: 3082 · UN 3082 9 / PGIII
WGK Germany: 3 · 3
HS Code: 29214990 · 29214990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 Eye · Aquatic Acute 1Eye 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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3082 9 / PGIII
hs_code: 29214990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xi
safety_code: 26-37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335-H400
Hazard Classifications: Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P273-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesIt is used to synthesize p,p'-Di-n-decyl-azobenzol could be obtained by the reactant of 4-Decylaniline, and the reagents of O2, CuCl, pyridine.