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4435-67-0

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Basic Information
CAS No.: 4435-67-0
Name: 1 3 5-BENZENETRIACETIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 4435-67-0 (1 3 5-BENZENETRIACETIC ACID)
Formula: C12H12O6
Molecular Weight: 252.224
Synonyms: 2-[3,5-bis(carboxymethyl)phenyl]acetic acid;
Density: 1.468g/cm3
Melting Point: 210-215 °C
Boiling Point: 534.2°Cat760mmHg
Flash Point: 291°C
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 111.90000
LogP: 0.56790
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Chemistry

Empirical Formula of 1,3,5-Benzenetriacetic acid (CAS NO.4435-67-0): C12H12O6
Molecular Weight: 252.2201
Nominal Mass: 252 Da
Average Mass: 252.2201 Da
Monoisotopic Mass: 252.063388 Da 
Index of Refraction: 1.61
Molar Refractivity: 59.59 cm3
Molar Volume: 171.7 cm3
Surface Tension: 73.2 dyne/cm
Density: 1.468 g/cm3
Flash Point: 291 °C
Enthalpy of Vaporization: 85.3 kJ/mol
Boiling Point: 534.2 °C at 760 mmHg
Vapour Pressure: 3.05E-12 mmHg at 25 °C
Melting point: 210-215 °C
Structure of 1,3,5-Benzenetriacetic acid (CAS NO.4435-67-0):
                      
IUPAC Name: 2-[3,5-Bis(carboxymethyl)phenyl]acetic acid
Canonical SMILES: C1=C(C=C(C=C1CC(=O)O)CC(=O)O)CC(=O)O
InChI: InChI=1S/C12H12O6/c13-10(14)4-7-1-8(5-11(15)16)3-9(2-7)6-12(17)18/h1-3H,4-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey: AJEIBHNKBLRDNT-UHFFFAOYSA-N

Safety Profile

Hazard Codes of 1,3,5-Benzenetriacetic acid (CAS NO.4435-67-0): IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.

Specification

 1,3,5-Benzenetriacetic acid , its cas register number is 4435-67-0. It also can be called Benzene-1,3,5-triacetic acid ; and 1,3,5-Tris(carboxymethyl)benzene .