2,4-dichloro-5-fluorobenzoyl chloride

• ChemBase ID: 9002
• Molecular Formular: C7H2Cl3FO
• Molecular Mass: 227.4475832
• Monoisotopic Mass: 225.91552594
• SMILES: C(=O)(Cl)c1c(Cl)cc(c(c1)F)Cl
• Canonical SMILES: ClC(=O)c1cc(F)c(cc1Cl)Cl
• InChI: InChI=1S/C7H2Cl3FO/c8-4-2-5(9)6(11)1-3(4)7(10)12/h1-2H
• InChIKey: RPZXUSJCSDQNTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5-fluorobenzoyl chloride
• IUPAC Traditional name: 2,4-dichloro-5-fluorobenzoyl chloride
• Synonyms: 2,4-Dichloro-5-fluorobenzoyl chloride; 2,4-Dichloro-5-fluorobenzoyl chloride 98%; 2,4-Dichloro-5-fluorobenzoyl chloride; 2,4-二氯-5-氟苯酰氯; 2,4-二氯-5-氟苯甲酰氯

Database IDs

• CAS Number: 86393-34-2
• EC Number: 428-390-1
• MDL Number: MFCD00075341
• Beilstein Number: 4989077
• PubChem SID: 24861372; 160972309
• PubChem CID: 2736821

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5149496
• LogD (pH = 7.4): 3.5149496
• Log P: 3.5149496
• Molar Refractivity: 46.9987 cm^3
• Polarizability: 17.841057 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 143-144 °C/35 mmHg(lit.); 143-144°C/35mm; 143-144°C/35mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.568; 1.568 g/mL at 25 °C(lit.)
• Refractive Index: 1.572; 1.5720; 1.5730; n20/D 1.572(lit.)

Safety Information

• Storage Warning: Corrosive; Moisture Sensitive; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3265; UN3265
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34-36/37; 37/38-41-43-52/53
• Safety Statements: 24-26-37/39-61; 26-27-28-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318-H317-H335-H402-H412; H315-H317-H318-H335-H412
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338; P280-P262-P273-P303+P361+P353-P305+P351+P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: 96%; 97%
• Linear Formula: Cl2C6H2(F)COCl

DETAILS

Sigma Aldrich - 346101

Packaging
1 g in glass bottle