2-Propenoic acid,3-(2,3-difluorophenyl)-, (2E)- supplier

Name
TRANS-2,3-DIFLUOROCINNAMIC ACID
EINECS
CAS No. 236746-13-7
Article Data1
CAS DataBase
Density 1.379 g/cm³
Solubility
Melting Point
Formula C₉H₆F₂O₂
Boiling Point 281.3 °C at 760 mmHg
Molecular Weight 184.142
Flash Point 124 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,3-Difluorocinnamic acid;
PSA 37.30000
LogP 2.06260

2-Propenoic acid,3-(2,3-difluorophenyl)-, (2E)- Specification

The 2-Propenoic acid,3-(2,3-difluorophenyl)-, (2E)-, with the CAS registry number of 236746-13-7, is also known as 2,3-Difluorocinnamic acid. This chemical's molecular formula is C₉H₆F₂O₂. What's more, its systematic name is (2E)-3-(2,3-Difluorophenyl)prop-2-enoic acid.

Physical properties about the 2-Propenoic acid,3-(2,3-difluorophenyl)-, (2E)- are: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.53; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 5.86; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 26.3Å²; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 43.69 cm³; (14)Molar Volume: 133.4 cm³; (15)Surface Tension: 45.3 dyne/cm; (16)Density: 1.379 g/cm³; (17)Flash Point: 124 °C; (18)Enthalpy of Vaporization: 54.94 kJ/mol; (19)Boiling Point: 281.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0017 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(\C=C\C(=O)O)cccc1F
(2) InChI: InChI=1/C9H6F2O2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4+
(3) InChIKey: NVQHKPLMLCHFSU-SNAWJCMRBF

Product Name

TRANS-2,3-DIFLUOROCINNAMIC ACID

2-Propenoic acid,3-(2,3-difluorophenyl)-, (2E)- Specification

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