2-chloro-1,4-difluorobenzene

• ChemBase ID: 7054
• Molecular Formular: C6H3ClF2
• Molecular Mass: 148.5378264
• Monoisotopic Mass: 147.98913422
• SMILES: c1(Cl)c(F)ccc(c1)F
• Canonical SMILES: Fc1ccc(c(c1)Cl)F
• InChI: InChI=1S/C6H3ClF2/c7-5-3-4(8)1-2-6(5)9/h1-3H
• InChIKey: XWCKSJOUZQHFKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1,4-difluorobenzene
• IUPAC Traditional name: 2-chloro-1,4-difluorobenzene
• Synonyms: 1-Chloro-2,5-difluorobenzene; 4-FLUOROBENZOPHENONE; 2-Chloro-1,4-difluorobenzene; 1-Chloro-2,5-difluorobenzene; 2-Chloro-1,4-difluorobenzene; 2,5-Difluorochlorobenzene 98%; 2,5-Difluorochlorobenzene; 2-Chloro-1,4-difluorobenzene; 2-氯-1,4-二氟苯

Database IDs

• CAS Number: 345-83-5; 2367-91-1
• EC Number: 206-463-7
• MDL Number: MFCD00042571
• Beilstein Number: 2081082
• PubChem SID: 160970361
• PubChem CID: 137561

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8626943
• LogD (pH = 7.4): 2.8626943
• Log P: 2.8626943
• Molar Refractivity: 31.2956 cm^3
• Polarizability: 11.751637 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 126-128°C; 126-128°C
• Flash Point: 20°C; 20°C(68°F)
• Density: 1.352
• Refractive Index: 1.479; 1.4790

Safety Information

• Storage Warning: Highly Flammable/Irritant; IRRITANT, FLAMMABLE
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-36/37/38
• Safety Statements: 16-23-26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P280G-P305+P351+P338

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05201183

MP Biomedicals Rare Chemical collection