4-fluorobenzene-1,2-diamine

• ChemBase ID: 8771
• Molecular Formular: C6H7FN2
• Molecular Mass: 126.1315832
• Monoisotopic Mass: 126.05932645
• SMILES: c1(F)cc(N)c(N)cc1
• Canonical SMILES: Fc1ccc(c(c1)N)N
• InChI: InChI=1S/C6H7FN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
• InChIKey: KWEWNOOZQVJONF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluorobenzene-1,2-diamine
• IUPAC Traditional name: 4-fluorobenzene-1,2-diamine
• Synonyms: 1,2-Diamino-4-fluorobenzene; 4-fluorobenzene-1,2-diamine; 4-Fluorophenylene-1,2-diamine; 3,4-Diaminofluorobenzene; 4-Fluorobenzene-1,2-diamine 97%; 1,2-Diamino-4-fluorobenzene; 4-Fluoro-o-phenylenediamine; 4-Fluoro-1,2-phenylenediamine; 4-Fluoro-o-phenylenediamine; 4-Fluorobenzene-1,2-diamine, tech; U - Chloral hydrate solution; 4-FLUORO-o-PHENYLENEDIAMINE; 3,4-二氨基氟苯; 对氟邻苯二胺; 4-氟-1,2-苯二胺; 对氟邻苯二胺; 水合氯醛 溶液

Database IDs

• CAS Number: 302-17-0; 367-31-7
• EC Number: 206-691-7
• MDL Number: MFCD00042228
• Beilstein Number: 2081075
• PubChem SID: 24870898; 24883967; 160972078
• PubChem CID: 164584

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.4510446
• LogD (pH = 7.4): 0.45800635
• Log P: 0.45809585
• Molar Refractivity: 35.6752 cm^3
• Polarizability: 12.292027 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: deep brown
• Melting Point: 86-88°C; 91-95 °C; 91-95°C; 91-95°C; 94-98 °C
• Hydrophobicity(logP): 0.115

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold/Light Sensitive; IRRITANT; Light Sensitive; Toxic/Harmful/Irritant/Light Sensitive
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H311-H302-H332-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280H-P305+P351+P338-P309-P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (GC); 95%; 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C6H7FN2

DETAILS

MP Biomedicals - 05215264

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC2187

Intermediate for the synthesis of poly(arylene ether phenylquinoxanlines): ACS Symp. Ser. 407, 212, 1999

Sigma Aldrich - 653586

Packaging
5 g in glass bottle