2-Propenoicacid, 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]- supplier

Name
4-(3,4-DICHLOROBENZYLOXY)CINNAMIC ACID
EINECS
CAS No. 175136-15-9
Density 1.383g/cm³
Solubility
Melting Point
Formula C₁₆H₁₂Cl₂O₃
Boiling Point 499.6 °C at 760 mmHg
Molecular Weight 323.17
Flash Point 255.9 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms RARECHEM AL BK 1027;4-(3,4-DICHLOROBENZYLOXY)CINNAMIC ACID;3-(4-(3,4-DICHLOROBENZYLOXY)PHENYL)ACRYLIC ACID
PSA 46.53000
LogP 4.67020

2-Propenoicacid, 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]- Specification

The 2-Propenoicacid, 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-, with CAS registry number 175136-15-9, has the systematic name of(E)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid. This chemical may cause inflammation to the skin or other mucous membranes. And the chemical formula of this chemical is C₁₆H₁₂Cl₂O₃.

Physical properties of 2-Propenoicacid, 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-: (1)ACD/LogP: 5.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 1.83; (5)#H bond acceptors: 3; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 46.53 Å²; (9)Index of Refraction: 1.644; (10)Molar Refractivity: 84.66 cm³; (11)Molar Volume: 233.6 cm³; (12)Polarizability: 33.56×10^-24cm³; (13)Surface Tension: 53.7 dyne/cm; (14)Density: 1.383 g/cm³; (15)Flash Point: 255.9 °C; (16)Enthalpy of Vaporization: 80.87 kJ/mol; (17)Boiling Point: 499.6 °C at 760 mmHg; (18)Vapour Pressure: 8.46E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(COc1ccc(/C=C/C(O)=O)cc1)cc2Cl
(2)InChI: InChI=1/C16H12Cl2O3/c17-14-7-3-12(9-15(14)18)10-21-13-5-1-11(2-6-13)4-8-16(19)20/h1-9H,10H2,(H,19,20)/b8-4+
(3)InChIKey: NGTVZGVCDADUBF-XBXARRHUBB
(4)Std. InChI: InChI=1S/C16H12Cl2O3/c17-14-7-3-12(9-15(14)18)10-21-13-5-1-11(2-6-13)4-8-16(19)20/h1-9H,10H2,(H,19,20)/b8-4+
(5)Std. InChIKey: NGTVZGVCDADUBF-XBXARRHUSA-N

Product Name

4-(3,4-DICHLOROBENZYLOXY)CINNAMIC ACID

2-Propenoicacid, 3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]- Specification

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