1,4-Naphthalenedipropanoicacid, sodium salt (1:2) supplier

Name
3,3'-(1,4-NAPHTHYLIDINE)DIPROPIONATE, 2NA
EINECS
CAS No. 97860-58-7
Article Data2
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₆H₁₄Na₂O₄
Boiling Point 513.9 °C at 760 mmHg
Molecular Weight 316.264
Flash Point 278.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Naphthalenedipropanoicacid, disodium salt (9CI);
PSA 80.26000
LogP 0.20480

1,4-Naphthalenedipropanoicacid, sodium salt (1:2) Specification

The 1,4-Naphthalenedipropanoicacid, sodium salt (1:2) is an organic compound with the formula C₁₆H₁₄Na₂O₄. The systematic name of this chemical is disodium 3,3'-naphthalene-1,4-diyldipropanoate. With the CAS registry number 97860-58-7, it is also named as Naphthalene-1,4-dipropionic acid disodium salt.

Physical properties about 1,4-Naphthalenedipropanoicacid, sodium salt (1:2) are: (1)ACD/LogP: 2.69; (2)ACD/LogD (pH 5.5): 0.78; (3)ACD/LogD (pH 7.4): -1.99; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.54; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 74.6 Å²; (12)Flash Point: 278.7 °C; (13)Enthalpy of Vaporization: 82.69 kJ/mol; (14)Boiling Point: 513.9 °C at 760 mmHg; (15)Vapour Pressure: 2.2E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)CCc2c1ccccc1c(cc2)CCC([O-])=O
(2)InChI: InChI=1/C16H16O4.2Na/c17-15(18)9-7-11-5-6-12(8-10-16(19)20)14-4-2-1-3-13(11)14;;/h1-6H,7-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2
(3)InChIKey: GSVBOOMZOVISKO-NUQVWONBAF
(4)Std. InChI: InChI=1S/C16H16O4.2Na/c17-15(18)9-7-11-5-6-12(8-10-16(19)20)14-4-2-1-3-13(11)14;;/h1-6H,7-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2
(5)Std. InChIKey: GSVBOOMZOVISKO-UHFFFAOYSA-L

Product Name

3,3'-(1,4-NAPHTHYLIDINE)DIPROPIONATE, 2NA

1,4-Naphthalenedipropanoicacid, sodium salt (1:2) Specification

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