CAS No.99854-17-8,2-CHLORO-3,4-DIMETHOXYCINNAMIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	99854-17-8
Name:	2-CHLORO-3,4-DIMETHOXYCINNAMIC ACID

Formula:	C₁₁H₁₁ClO₄
Molecular Weight:	242.659
Synonyms:	Cinnamicacid, 2-chloro-3,4-dimethoxy- (6CI);
Density:	1.311 g/cm³
Melting Point:	194-195 °C
Boiling Point:	397.6 °C at 760 mmHg
Flash Point:	194.3 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	55.76000
LogP:	2.45500

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Specification

The 2-Propenoic acid,3-(2-chloro-3,4-dimethoxyphenyl)-, with the CAS registry number 99854-17-8, is also known as 3-(2-Chloro-3,4-dimethoxyphenyl)acrylic acid. This chemical's molecular formula is C₁₁H₁₁ClO₄ and molecular weight is 242.66. What's more, its IUPAC name is (E)-3-(2-Chloro-3,4-dimethoxyphenyl)prop-2-enoate.

Physical properties about 2-Propenoic acid,3-(2-chloro-3,4-dimethoxyphenyl)- are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/BCF (pH 5.5): 1.44; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.47; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 44.76 Å²; (12)Index of Refraction: 1.584; (13)Molar Refractivity: 61.95 cm³; (14)Molar Volume: 184.9 cm³; (15)Polarizability: 24.56×10^-24 cm³; (16)Surface Tension: 45.7 dyne/cm; (17)Density: 1.311 g/cm³; (18)Flash Point: 194.3 °C; (19)Enthalpy of Vaporization: 68.34 kJ/mol; (20)Boiling Point: 397.6 °C at 760 mmHg; (21)Vapour Pressure: 4.91E-07 mmHg at 25 °C.

During using the chemical, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And it is irritating to eyes, respiratory system and skin. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from contact with oxidant.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(ccc(OC)c1OC)\C=C\C(=O)O
(2) InChI: InChI=1/C11H11ClO4/c1-15-8-5-3-7(4-6-9(13)14)10(12)11(8)16-2/h3-6H,1-2H3,(H,13,14)/b6-4+
(3) InChIKey: JIPTVEJKXDVECY-GQCTYLIABY