Cas no 94278-68-9 (2-(bromomethyl)-1,3-difluoro-5-methoxybenzene)

2-(bromomethyl)-1,3-difluoro-5-methoxybenzene structure
94278-68-9 structure
Product Name:2-(bromomethyl)-1,3-difluoro-5-methoxybenzene
CAS No:94278-68-9
MF:C8H7BrF2O
MW:237.041388750076
MDL:MFCD04115925
CID:61711
PubChem ID:3354272
Update Time:2024-10-25

2-(bromomethyl)-1,3-difluoro-5-methoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 2,6-Difluoro-4-methoxybenzyl bromide
    • 2-(bromomethyl)-1,3-difluoro-5-methoxybenzene
    • 2-bromomethyl-1,3-difluoro-5-methoxy-benzene
    • JRD-1446
    • 2-(Bromomethyl)-1,3-difluoro-5-methoxybenzene (ACI)
    • 4-(Bromomethyl)-3,5-difluorophenyl methyl ether
    • EN300-1912500
    • AC-26275
    • 2,6-DIFLUORO-4-METHOXYBENZYLBROMIDE
    • MFCD04115925
    • AS-43498
    • SCHEMBL160725
    • AKOS009311663
    • JCRQCVDDBZVTMB-UHFFFAOYSA-N
    • DTXSID20391725
    • 94278-68-9
    • MDL: MFCD04115925
    • Inchi: 1S/C8H7BrF2O/c1-12-5-2-7(10)6(4-9)8(11)3-5/h2-3H,4H2,1H3
    • InChI Key: JCRQCVDDBZVTMB-UHFFFAOYSA-N
    • SMILES: FC1C(CBr)=C(F)C=C(OC)C=1

Computed Properties

  • Exact Mass: 235.96500
  • Monoisotopic Mass: 235.965
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 133
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 9.2A^2
  • XLogP3: 2.7

Experimental Properties

  • Density: 1.566
  • Melting Point: 43-46℃
  • Boiling Point: 210.4°C at 760 mmHg
  • Flash Point: 98.9°C
  • Refractive Index: 1.514
  • PSA: 9.23000
  • LogP: 2.86830

2-(bromomethyl)-1,3-difluoro-5-methoxybenzene Security Information

  • Hazardous Material transportation number:UN3261
  • HazardClass:8
  • PackingGroup:III
  • Packing Group:III

2-(bromomethyl)-1,3-difluoro-5-methoxybenzene Pricemore >>

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2-(bromomethyl)-1,3-difluoro-5-methoxybenzene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phosphoric tribromide Solvents: Tetrahydrofuran ;  cooled; 2 h, rt
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Substituted piperidines or piperidones as FPR2 modulators and their preparation
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen bromide Solvents: Acetic acid
Reference
Synthesis of 2,6-dihalo-DL-tyrosines
Pascal, Robert A. Jr.; Chen, Y. C. Jack, Journal of Organic Chemistry, 1985, 50(3), 408-10

Production Method 3

Reaction Conditions
1.1 Reagents: Phosphorus tribromide Solvents: Diethyl ether ;  < 8 °C; 2 h, 20 °C; cooled
1.2 Reagents: Diethyl ether ,  Ethyl acetate ,  Water ;  cooled
Reference
Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives
, World Intellectual Property Organization, , ,

2-(bromomethyl)-1,3-difluoro-5-methoxybenzene Raw materials

2-(bromomethyl)-1,3-difluoro-5-methoxybenzene Preparation Products

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