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Structure

4-(DIFLUOROMETHYL)BENZOIC ACID

CAS
55805-21-5
Catalog Number
ACM55805215
Category
Other Products
Molecular Weight
172.13
Molecular Formula
C8H6F2O2

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  • Product Description
  • Case Study
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  • Synthetic Use
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Specification

Synonyms
4-(DIFLUOROMETHYL)BENZOIC ACID;4-(Difluoromethyl)benzoic acid 97%;4-(Difluoromethyl)benzoicacid97%
IUPAC Name
4-(difluoromethyl)benzoic acid
Canonical SMILES
C1=CC(=CC=C1C(F)F)C(=O)O
InChI Key
AVYXJQFZBUXNHB-UHFFFAOYSA-N
Boiling Point
271.6ºC at 760 mmHg
Melting Point
203-205ºC
Flash Point
118.1ºC
Density
1.324g/cm³
Exact Mass
172.03400
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
1

Upstream Synthesis Route 1

  • 55805-10-2
  • 55805-21-5

Reference: [1]Mathey,F.; Bensoam,J.
[Tetrahedron, 1975, vol. 31, p. 391 - 401]
[2]Current Patent Assignee: MEDIVIR AB; PEPTIMMUNE, INC. - WO2006/64286, 2006, A1
Location in patent: Page/Page column 96-97
[3]Current Patent Assignee: MEDIVIR AB - WO2007/144379, 2007, A1
Location in patent: Page/Page column 42
[4]Current Patent Assignee: Shanghai Institute of Materia Medica (in: CAS); ZHEJIANG UNIVERSITY; CHINESE ACADEMY OF SCIENCES - CN105085433, 2019, B
Location in patent: Paragraph 0328; 0333-0336

Upstream Synthesis Route 2

  • 105-07-7
  • 55805-21-5

Reference: [1]Mathey,F.; Bensoam,J.
[Tetrahedron, 1975, vol. 31, p. 391 - 401]
[2]Current Patent Assignee: MEDIVIR AB - WO2007/144379, 2007, A1
[3]Current Patent Assignee: Shanghai Institute of Materia Medica (in: CAS); ZHEJIANG UNIVERSITY; CHINESE ACADEMY OF SCIENCES - CN105085433, 2019, B

Upstream Synthesis Route 3

  • 1309-60-0
  • 99-94-5
  • 55805-21-5

Reference: [1]Current Patent Assignee: DUPONT DE NEMOURS INC - US4051168, 1977, A

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