4-fluoro-3-nitroaniline

• ChemBase ID: 7383
• Molecular Formular: C6H5FN2O2
• Molecular Mass: 156.1145032
• Monoisotopic Mass: 156.03350563
• SMILES: c1c(c(cc(c1)N)[N+](=O)[O-])F
• Canonical SMILES: Nc1ccc(c(c1)[N+](=O)[O-])F
• InChI: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
• InChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-3-nitroaniline
• IUPAC Traditional name: C6H5FN2O2; 4-fluoro-3-nitroaniline
• Synonyms: 4-Fluoro-3-nitroaniline; 5-Amino-2-fluoronitrobenzene; 4-Fluoro-3-nitroaniline 98%; 4-Fluoro-3-nitroaniline; 4-氟-3-硝基苯胺

Database IDs

• CAS Number: 364-76-1
• EC Number: 206-665-5
• MDL Number: MFCD00007833
• Beilstein Number: 2210199
• PubChem SID: 24849575; 160970690
• PubChem CID: 67768

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2269701
• LogD (pH = 7.4): 1.2270055
• Log P: 1.227006
• Molar Refractivity: 37.2953 cm^3
• Polarizability: 13.163652 Å^3
• Polar Surface Area: 69.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94-96 °C(lit.); 94-98°C; 94-98°C; 96-98°C
• Flash Point: 195.8 °F; 91 °C; 91°C; 91°C(195°F)

Safety Information

• Storage Warning: Flammable/Harmful/Irritant/Light Sensitive/Keep Cold; IRRITANT, TOXIC
• RTECS: BY1700000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1325
• German water hazard class: 2
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 20/21/22; 22-36/37/38; R:22
• Safety Statements: 26-36/37; 36/37; S:36/37/39
• TSCA Listed: true; 是
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H302; H301-H315-H319-H335
• GHS Precautionary statements: P210; P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 97%; 98%
• Linear Formula: FC6H3(NO2)NH2

DETAILS

MP Biomedicals - 05203172

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 155861

Packaging
25, 100 g in glass bottle