1-(bromomethyl)-2,4-dichloro-5-fluorobenzene

• ChemBase ID: 8999
• Molecular Formular: C7H4BrCl2F
• Molecular Mass: 257.9150632
• Monoisotopic Mass: 255.88574571
• SMILES: C(Br)c1c(Cl)cc(c(c1)F)Cl
• Canonical SMILES: BrCc1cc(F)c(cc1Cl)Cl
• InChI: InChI=1S/C7H4BrCl2F/c8-3-4-1-7(11)6(10)2-5(4)9/h1-2H,3H2
• InChIKey: SXAZGVVUQUTRIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2,4-dichloro-5-fluorobenzene
• IUPAC Traditional name: 1-(bromomethyl)-2,4-dichloro-5-fluorobenzene
• Synonyms: 2,4-Dichloro-5-fluorobenzyl bromide; 2,4-Dichloro-5-fluorobenzyl bromide; 2,4-二氯-5-氟苯甲基溴

Database IDs

• CAS Number: 261763-27-3
• EC Number: None
• MDL Number: MFCD01631381
• PubChem SID: 160972306
• PubChem CID: 2774018

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0967746
• LogD (pH = 7.4): 4.0967746
• Log P: 4.0967746
• Molar Refractivity: 48.7344 cm^3
• Polarizability: 18.66784 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 94°C/1mm

Safety Information

• Storage Warning: CORROSIVE; Corrosive/Lachrymatory
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%