4-ethenylaniline

• ChemBase ID: 9970
• Molecular Formular: C8H9N
• Molecular Mass: 119.16376
• Monoisotopic Mass: 119.07349929
• SMILES: c1c(ccc(c1)N)C=C
• Canonical SMILES: C=Cc1ccc(cc1)N
• InChI: InChI=1S/C8H9N/c1-2-7-3-5-8(9)6-4-7/h2-6H,1,9H2
• InChIKey: LBSXSAXOLABXMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenylaniline
• IUPAC Traditional name: benzenamine, 4-ethenyl-
• Synonyms: 4-Aminostyrene; 4-Vinylaniline; 4-Aminostyrene; 4-Ethenylaniline; 4-Vinylaniline; 4-Aminostyrene 98%; 4-Aminostyrene; 4-Vinylaniline; 4-Aminostyrene 96%; 4-氨基苯乙烯; 4-乙烯基苯胺; 4-氨基苯乙烯

Database IDs

• CAS Number: 1520-21-4
• EC Number: 216-185-8
• MDL Number: MFCD00015329
• Beilstein Number: 2204173
• PubChem SID: 24860169; 160973277; 24878141
• PubChem CID: 73700

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.8422042
• LogD (pH = 7.4): 1.8805108
• Log P: 1.881022
• Molar Refractivity: 40.4447 cm^3
• Polarizability: 15.037337 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Physical Property

• Melting Point: 23-24°C; 23-24°C
• Boiling Point: 213-214 °C(lit.); 213-214°C; 92-94°C/4mm; 98-100°C/4mm
• Flash Point: >110°C; >110°C(230°F); 208.4 °F; 210 °F; 98 °C; 99 °C; 99°C
• Density: 1.014; 1.017 g/mL at 25 °C(lit.)
• Refractive Index: 1.626; 1.6260; 1.6262; n20/D 1.626(lit.)

Safety Information

• Storage Warning: KEEP COLD; Toxic/Harmful/Irritant/Carcinogenic/Light Sensitive/Store under Argon/Keep Cold; Toxic/Harmful/Irritant/Carcinogenic/Mutagenic/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22-33-36/37/38-40-43-48/20/21/22; 22-36/37/38
• Safety Statements: 26-36/37; 26-36/37-60
• TSCA Listed: false; 是
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H319-H335; H302-H312-H315-H319-H332-H334-H335-H351-H373
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P342 + P311; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 90%; 95+%; 97%; 97%, stab.
• Grade: technical grade
• Linear Formula: H2C=CHC6H4NH2

DETAILS

Apollo Scientific Ltd - OR8452

Stabilised with 4-tert-butylcatechol

Apollo Scientific Ltd - OR30448

Stabilised with 4-tert-butylcatechol

Sigma Aldrich - 536180

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 333689

Packaging
5 g in glass bottle