2,4-difluoroaniline

• ChemBase ID: 9027
• Molecular Formular: C6H5F2N
• Molecular Mass: 129.1074064
• Monoisotopic Mass: 129.03900561
• SMILES: c1c(N)c(cc(c1)F)F
• Canonical SMILES: Fc1ccc(c(c1)F)N
• InChI: InChI=1S/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
• InChIKey: CEPCPXLLFXPZGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-difluoroaniline
• IUPAC Traditional name: 2,4-difluoroaniline
• Synonyms: 2,4-Difluoroaniline; 2,4-Difluoroaniline; 1-Amino-2,4-difluorobenzene; 2,4-Difluoroaniline 99%; 2,4-二氟苯胺

Database IDs

• CAS Number: 367-25-9
• EC Number: 206-687-5
• MDL Number: MFCD00007648
• Beilstein Number: 2802556
• Merck Index: 143147
• PubChem SID: 24862925; 24893321; 160972334
• PubChem CID: 9709

CALCULATED PROPERTIES

• Acid pKa: 19.431864
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4296256
• LogD (pH = 7.4): 1.4297225
• Log P: 1.4297237
• Molar Refractivity: 31.1912 cm^3
• Polarizability: 10.91738 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -7.5 °C(lit.); -7.5°C; -8 to -7°C
• Boiling Point: 168-170°C; 168-170°C; 170 °C/753 mmHg(lit.); 170°C/753mm
• Flash Point: 143.6 °F; 62 °C; 62°C; 62°C(143°F)
• Density: 1.268; 1.268 g/mL at 25 °C(lit.); 1.281
• Refractive Index: 1.506; 1.5070; n20/D 1.506; n20/D 1.506(lit.)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: IRRITANT, TOXIC; Toxic/Harmful/Light Sensitive/Keep Cold
• RTECS: BX3680000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2941; UN2941
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/21/22; 20/21/22-33-36/38; R:22
• Safety Statements: 26-28-36/37; 28-36/37/39; S:36/37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H311-H331; H311-H331-H302-H315-H319-H373-H227
• GHS Precautionary statements: P261-P280-P311; P280H-P305+P351+P338-P302+P352-P309-P310
• 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: ≥95.0% (GC); 97%; 98%; 99%
• Grade: purum
• Linear Formula: F2C6H3NH2

DETAILS

MP Biomedicals - 05214001

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02157698

1 ml=approx. 1.28 g

Apollo Scientific Ltd - PC2590

Important intermediate for manufacture of pharmaceuticals, e.g Fluconazole, Diflunisal & Dolobid.

Sigma Aldrich - D101400

Packaging
10, 25, 100 g in glass bottle