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Structure

2,2-Difluoro-5-aminobenzodioxole

CAS
1544-85-0
Catalog Number
ACM1544850
Category
Other Products
Molecular Weight
173.12
Molecular Formula
C7H5F2NO2

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Specification

Synonyms
ZINC02556425, CID2736893, ST5407437, 1544-85-0
IUPAC Name
2,2-difluoro-1,3-benzodioxol-5-amine
Canonical SMILES
C1=CC2=C(C=C1N)OC(O2)(F)F
InChI Key
CVYQRDKVWVBOFP-UHFFFAOYSA-N
Boiling Point
217.2ºC at 760 mmHg 95-97ºC 12mm
Flash Point
85.2ºC
Density
1.51 g/cm³
Exact Mass
173.02900
Hazard Statements
T: Toxic;Xi: Irritant;
H-Bond Acceptor
5
H-Bond Donor
1
Packing Group
III
Safety Description
S28-S36/37

Upstream Synthesis Route 1

  • 1645-96-1
  • 1544-85-0

Reference: [1] Journal of Organic Chemistry, 2008, vol. 73, # 17, p. 6780 - 6783
[2] Patent: US2016/251376, 2016, A1, . Location in patent: Paragraph 0895; 0896; 0897

Upstream Synthesis Route 2

  • 1645-96-1
  • 1544-85-0

Reference: [1] Patent: EP634413, 1995, A1,

Downstream Synthesis Route 1

  • 1544-85-0
  • 1147550-11-5
  • 1057344-56-5

Reference: [1]Patent: WO2007/118903,2007,A1 .Location in patent: Page/Page column 52

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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