2-chloro-4-fluoroaniline

• ChemBase ID: 7447
• Molecular Formular: C6H5ClFN
• Molecular Mass: 145.5620032
• Monoisotopic Mass: 145.00945507
• SMILES: c1(ccc(c(c1)Cl)N)F
• Canonical SMILES: Fc1ccc(c(c1)Cl)N
• InChI: InChI=1S/C6H5ClFN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H2
• InChIKey: XRAKCYJTJGTSMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-fluoroaniline
• IUPAC Traditional name: 2-chloro-4-fluoroaniline
• Synonyms: 2-Chloro-4-fluoroaniline; 2-Chloro-4-fluoroaniline; 2-Chloro-4-fluoroaniline 99%; 2-氯-4-氟苯胺

Database IDs

• CAS Number: 2106-02-7
• EC Number: 218-282-0
• MDL Number: MFCD00042530
• Beilstein Number: 2802559
• PubChem SID: 160970754; 24859066
• PubChem CID: 75013

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.8908135
• LogD (pH = 7.4): 1.8910633
• Log P: 1.8910664
• Molar Refractivity: 35.7796 cm^3
• Polarizability: 13.073254 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 191-192°C; 191-192°C; 192 °C(lit.); 192°C
• Flash Point: 208.4 °F; 98 °C; 98°C; 98°C(208°F)
• Density: 1.219; 1.219 g/mL at 25 °C(lit.)
• Refractive Index: 1.554; 1.5540; n20/D 1.554(lit.)

Safety Information

• Storage Warning: TOXIC; Toxic/Harmful/Irritant/Light Sensitive/Store under Argon/Keep Cold
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-33-36/38; 20/21/22-36/37/38
• Safety Statements: 26-28-36/37; 26-37/39
• TSCA Listed: true; 是
• 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: P261-P280-P305 + P351 + P338; P280H-P305+P351+P338-P302+P352-P301+P312-P314-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%; 98%; 99%
• Linear Formula: ClC6H3(F)NH2

DETAILS

Sigma Aldrich - 317179

Packaging
5 g in glass bottle