2-Propenoic acid,3-[3-nitro-4-(2-pyridinylthio)phenyl]- supplier

Name
3-[3-NITRO-4-(2-PYRIDYLTHIO)PHENYL]ACRYLIC ACID
EINECS
CAS No. 175278-56-5
Density 1.47 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₀N₂O₄S
Boiling Point 516.7 °C at 760 mmHg
Molecular Weight 302.31
Flash Point 1.68×10^-11 mmHg at 25°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2E)-3-[3-nitro-4-(pyridin-2-ylsulfanyl)phenyl]prop-2-enoic acid;
PSA 121.31000
LogP 3.76200

2-Propenoic acid,3-[3-nitro-4-(2-pyridinylthio)phenyl]- Specification

The 2-Propenoic acid,3-[3-nitro-4-(2-pyridinylthio)phenyl]-, with the CAS registry number 175278-56-5, is also known as (2E)-3-[3-nitro-4-(pyridin-2-ylsulfanyl)phenyl]prop-2-enoic acid. This chemical's molecular formula is C₁₄H₁₀N₂O₄S and molecular weight is 302.31. What's more, its systematic name is (2E)-3-[3-Nitro-4-(pyridin-2-ylsulfanyl)phenyl]acrylic acid.

Physical properties about the 2-Propenoic acid,3-[3-nitro-4-(2-pyridinylthio)phenyl]- are: (1)ACD/LogP: 3.80; (2)ACD/LogD (pH 5.5): 1.65; (3) ACD/LogD (pH 7.4): 0.23; (4)ACD/BCF (pH 5.5): 3.23; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 19.72; (7)ACD/KOC (pH 7.4): 1; (8)H bond acceptors: 6; (9)H bond donors: 1; (10)Freely Rotating Bonds: 5; (11)Polar Surface Area: 110.31 _^Å²; (12)Index of Refraction: 1.693; (13)Molar Refractivity: 78.75 cm³; (14)Molar Volume: 205.3 cm³ ; (15)Polarizability: 31.22×10^-24cm³; (16)Surface Tension: 78.2 dyne/cm; (17)Density: 1.47 g/cm³; (18)Flash Point: 266.3 °C; (19)Enthalpy of Vaporization: 83.05 kJ/mol; (20)Boiling Point: 516.7 °C at 760 mmHg ; (21)Vapour Pressure: 1.68×10^-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2c(Sc1ncccc1)ccc(\C=C\C(=O)O)c2CopyCopied
(2)InChI: InChI=1/C14H10N2O4S/c17-14(18)7-5-10-4-6-12(11(9-10)16(19)20)21-13-3-1-2-8-15-13/h1-9H,(H,17,18)/b7-5+ CopyCopied
(3)InChIKey: NXEAFENRUYAQEV-FNORWQNLBJ

Product Name

3-[3-NITRO-4-(2-PYRIDYLTHIO)PHENYL]ACRYLIC ACID

2-Propenoic acid,3-[3-nitro-4-(2-pyridinylthio)phenyl]- Specification

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