Bis(2-carboxyethyl)isocyanurate supplier

Name
BIS(2-CARBOXYETHYL) ISOCYANURATE
EINECS
CAS No. 2904-40-7
Density 1.593 g/cm³
Solubility
Melting Point 289 °C
Formula C₉H₁₁N₃O₇
Boiling Point
Molecular Weight 273.202
Flash Point
Transport Information
Appearance White crystalline powder or granular
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms s-Triazine-1,3(2H,4H)-dipropionicacid, 5,6-dihydro-2,4,6-trioxo- (6CI);s-Triazine-1,3(2H,4H)-dipropionic acid,dihydro-2,4,6-trioxo- (7CI,8CI);1,3-Bis(2-carboxyethyl)isocyanuric acid;1,3-Bis(carboxyethyl)isocyanurate;Bis(2-carboxyethyl)isocyanurate;NSC 11693;
PSA 151.96000
LogP -0.71580

Bis(2-carboxyethyl)isocyanurate Specification

The cas register number of Bis(2-carboxyethyl)isocyanurate is 2904-40-7. It also can be called as 1,3,5-Triazine-1,3(2H,4H)-dipropanoic acid, dihydro-2,4,6-trioxo- and the Systematic name about this chemical is 3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid.

Physical properties about Bis(2-carboxyethyl)isocyanurate are: (1)ACD/LogP: -3.07; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 10; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 113.53Å²; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 55.75 cm³; (13)Molar Volume: 171.5 cm³; (14)Surface Tension: 73.2 dyne/cm; (15)Density: 1.592 g/cm³.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. People must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C1NC(=O)N(C(=O)N1CCC(=O)O)CCC(=O)O
2.InChI: InChI=1/C9H11N3O7/c13-5(14)1-3-11-7(17)10-8(18)12(9(11)19)4-2-6(15)16/h1-4H2,(H,13,14)(H,15,16)(H,10,17,18)
3.InChIKey:J CUMQTAAEUDUPK-UHFFFAOYAN
4.Std. InChI: InChI=1S/C9H11N3O7/c13-5(14)1-3-11-7(17)10-8(18)12(9(11)19)4-2-6(15)16/h1-4H2,(H,13,14)(H,15,16)(H,10,17,18)

Product Name

BIS(2-CARBOXYETHYL) ISOCYANURATE

Bis(2-carboxyethyl)isocyanurate Specification

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