3-fluoroaniline

• ChemBase ID: 96824
• Molecular Formular: C6H6FN
• Molecular Mass: 111.1169432
• Monoisotopic Mass: 111.04842742
• SMILES: Nc1cc(ccc1)F
• Canonical SMILES: Nc1cccc(c1)F
• InChI: InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
• InChIKey: QZVQQUVWFIZUBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoroaniline
• IUPAC Traditional name: 3-fluoroaniline
• Synonyms: 3-Fluoroaniline; 3-Fluoroaniline 98%; 3-Fluoroaniline; 1-Amino-3-fluorobenzene; m-FLUOROANILINE; 间氟苯胺; 3-氟苯胺

Database IDs

• CAS Number: 372-19-0
• EC Number: 206-747-0
• MDL Number: MFCD00007758
• Beilstein Number: 1305471
• PubChem SID: 24870221; 162083470; 24894850
• PubChem CID: 9742

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2847656
• LogD (pH = 7.4): 1.2869933
• Log P: 1.2870218
• Molar Refractivity: 30.9748 cm^3
• Polarizability: 11.131797 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -2°C
• Boiling Point: 186 °C/756 mmHg(lit.); 186-187°C; 186-187°C
• Flash Point: 170.6 °F; 77 °C; 77°C; 77°C(170°F)
• Density: 1.15 g/ml; 1.156; 1.156 g/mL at 25 °C(lit.)
• Refractive Index: 1.544; 1.5440; n20/D 1.542(lit.); n20/D 1.545

Safety Information

• Storage Warning: Toxic/Harmful/Corrosive/Irritant/Light Sensitive/Air Sensitive/Keep Cold/Store under Argon
• RTECS: BY1400000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2941; UN2941
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/21/22-33-36/38; 22-37/38-41; R:22-36/37/38-48
• Safety Statements: 26-28-36/37; 26-36/39; S:26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05; GHS06; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335; H331-H302-H312-H315-H319-H373-H227
• GHS Precautionary statements: P210-P260-P305+P351+P338-P302+P352-P405-P501A; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2941 6.1/PG 3

Product Information

• Purity: ≥97.0% (GC); 98%; 98+%; 99%
• Grade: technical
• Linear Formula: FC6H4NH2

DETAILS

MP Biomedicals - 05201922

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02158071

1 ml = approx. 1.15 g
Darkens during storage.

Sigma Aldrich - F3606

Packaging
25 g in glass bottle