Product Name

  • Name

    3,5-DIFLUOROCINNAMIC ACID

  • EINECS
  • CAS No. 84315-23-1
  • Article Data7
  • CAS DataBase
  • Density 1.379 g/cm3
  • Solubility
  • Melting Point 204-205 °C(lit.)
  • Formula C9H6F2O2
  • Boiling Point 272 °C at 760 mmHg
  • Molecular Weight 184.142
  • Flash Point 118.3 °C
  • Transport Information
  • Appearance white to off-white fluffy shiny powder or needles
  • Safety 26-36-26/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 84315-23-1 (3,5-DIFLUOROCINNAMIC ACID)
  • Hazard Symbols IrritantXi
  • Synonyms 3,5-Difluorocinnamicacid;3-(3,5-Difluorophenyl)acrylic acid;3',5'-Difluorocinnamic acid;(2E)-3-(3,5-Difluorophenyl)-2-propenoic acid;(2E)-3-(3,5-Difluorophenyl)acrylic acid;(2E)-3-(3,5-Difluorophenyl)prop-2-enoic acid;(E)-3-(3,5-Difluorophenyl)acrylic acid;(E)-3-(3,5-Difluorophenyl)prop-2-enoic acid;2-Propenoic acid, 3-(3,5-difluorophenyl)-, (2E)-;3,5-Difluorocinnamic acid;
  • PSA 37.30000
  • LogP 2.06260

(E)-3-(3,5-difluorophenyl)prop-2-enoate Specification

The IUPAC name of this chemical is (E)-3-(3,5-difluorophenyl)prop-2-enoate. With the CAS registry number 84315-23-1, it is also named as 2-Propenoic acid,3-(3,5-difluorophenyl)-. In addition, the formula is C9H6F2O2 and the molecular weight is 184.139546. What's more, it belongs to the classes of Fluoro-contained cinnamic acid series; Cinnamic acid; Miscellaneous. It has irritant.

Physical properties about this chemical are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4):  ; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.71; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 43.69 cm3; (15)Molar Volume: 133.4 cm3; (16)Polarizability: 17.32 ×10-24cm3; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.379 g/cm3; (19)Flash Point: 118.3 °C; (20)Enthalpy of Vaporization: 53.9 kJ/mol; (21)Boiling Point: 272 °C at 760 mmHg; (22)Vapour Pressure: 0.00306 mmHg at 25°C.

Uses of (E)-3-(3,5-difluorophenyl)prop-2-enoate: it can be used to get 3-(3,5-difluorophenyl)propionic acid. This reaction will need reagents NiCl2*6H2O and sodium borohydride and solvent methanol. The reaction time is 100 minutes with temperature of 20 °C and the yield is about 75%.

(E)-3-(3,5-difluorophenyl)prop-2-enoate can be used to get 3-(3,5-difluorophenyl)propionic acid.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when you are using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(\C=C\C(=O)O)cc(F)c1
(2)InChI: InChI=1/C9H6F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H,12,13)/b2-1+
(3)InChIKey: MBAWRXICVNIUGY-OWOJBTEDBF

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View