Trans-3-Indoleacrylic acid supplier

Name
trans-3-Indoleacrylic acid
EINECS 214-872-7
CAS No. 29953-71-7
Article Data17
CAS DataBase
Density 1.361 g/cm³
Solubility freely soluble in water
Melting Point 185 °C (dec.)(lit.)
Formula C₁₁H₉NO₂
Boiling Point 432.8 °C at 760 mmHg
Molecular Weight 187.198
Flash Point 215.6 °C
Transport Information
Appearance white to light yellow powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms trans-b-Indoleacrylic acid;(E)-3-(1H-Indol-3-yl)-2-propenoic acid;Indole-3-acrylic acid, (E)- (8CI);2-Propenoicacid, 3-(1H-indol-3-yl)-, (E)-;(2E)-3-(1H-Indol-3-yl)acrylic acid;(2E)-3-(1H-indol-3-yl)prop-2-enoic acid;2-Propenoic acid, 3- (1H-indol-3-yl)-;2-propenoic acid, 3-(1H-indol-3-yl)-, (2E)-;Acide (2E)-3-(1H-indol-3-yl)acrylique;
PSA 53.09000
LogP 2.26570

Trans-3-Indoleacrylic acid Specification

The Trans-3-Indoleacrylic acid, with the CAS registry number 29953-71-7 and EINECS registry number 214-872-7, has the systematic name of (2E)-3-(1H-indol-3-yl)prop-2-enoic acid. It is a kind of light brown crystalline powder, and belongs to the following product categories: Indoles and derivatives; Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks. And the molecular formula of this chemical is C₁₁H₉NO₂. What's more, it is usually for the residue detection of food and beverage.

The physical properties of Trans-3-Indoleacrylic acid are as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 5.3; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 67.06; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 55.98 cm³; (15)Molar Volume: 137.4 cm³; (16)Polarizability: 22.19×10^-24cm³; (17)Surface Tension: 68.4 dyne/cm; (18)Density: 1.361 g/cm³; (19)Flash Point: 215.6 °C; (20)Enthalpy of Vaporization: 72.59 kJ/mol; (21)Boiling Point: 432.8 °C at 760 mmHg; (22)Vapour Pressure: 2.93E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)\C=C\c2c1ccccc1nc2
(2)InChI: InChI=1/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+
(3)InChIKey: PLVPPLCLBIEYEA-AATRIKPKBL

Product Name

trans-3-Indoleacrylic acid

Trans-3-Indoleacrylic acid Specification

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