5-fluoro-2-methylaniline

• ChemBase ID: 7208
• Molecular Formular: C7H8FN
• Molecular Mass: 125.1435232
• Monoisotopic Mass: 125.06407748
• SMILES: c1(ccc(c(c1)N)C)F
• Canonical SMILES: Fc1ccc(c(c1)N)C
• InChI: InChI=1S/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
• InChIKey: JLCDTNNLXUMYFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-methylaniline
• IUPAC Traditional name: 5-fluoro-2-methylaniline
• Synonyms: 5-Fluoro-2-methylaniline; 2-Amino-4-fluorotoluene; 5-Fluoro-o-toluidine; 5-Fluoro-2-methylaniline 98%; 5-Fluoro-2-methylaniline; 5-Fluoro-2-methylaniline; 2-AMINO-4-FLUOROTOLUENE; 2-氨基-4-氟甲苯; 5-氟邻甲苯胺; 5-氟-2-甲基苯胺

Database IDs

• CAS Number: 367-29-3
• EC Number: 206-689-6
• MDL Number: MFCD00007764
• Beilstein Number: 2637584
• PubChem SID: 24894742; 160970515
• PubChem CID: 67774

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7988439
• LogD (pH = 7.4): 1.800423
• Log P: 1.8004432
• Molar Refractivity: 36.016 cm^3
• Polarizability: 12.890874 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-38°C; 37-40°C; 38-40 °C(lit.); 38-40°C
• Boiling Point: 98-100°C/15mm; 98-100°C/15mm
• Flash Point: 194 °F; 90 °C; 90°C; 90°C(194°F)
• Refractive Index: 1.538; 1.5380

Safety Information

• Storage Warning: IRRITANT, TOXIC; Toxic/Harmful/Irritant/Light Sensitive/Keep Cold
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1325; UN2811
• German water hazard class: 3
• Hazard Class: 4.1; 6.1
• Packing Group: 2; III
• Risk Statements: 20/21/22-33-36/38; 20/21/22-36/37/38
• Safety Statements: 26-27-36/37/39-45; 26-28-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H311-H302-H332-H315-H319-H373
• GHS Precautionary statements: P260-P305+P351+P338-P361-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 1325 4.1/PG 2

Product Information

• Purity: 97%; 98%; 99%
• Linear Formula: FC6H3(CH3)NH2

DETAILS

MP Biomedicals - 05207500

MP Biomedicals Rare Chemical collection

Sigma Aldrich - F10402

Packaging
10 g in glass bottle