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| CAS No.: | 6640-22-8 |
|---|---|
| Name: | 4,4'-Methylenebis(3-hydroxy-2-naphthoic acid) disodium salt |
| Molecular Structure: | |
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|
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| Formula: | C23H14Na2O6 |
| Molecular Weight: | 432.34 |
| Synonyms: | 2-Naphthalenecarboxylicacid, 4,4'-methylenebis[3-hydroxy-, disodium salt (9CI);2-Naphthoic acid,4,4'-methylenebis[3-hydroxy-, disodium salt (6CI,7CI,8CI);Disodium1,1'-methylenebis(2-hydroxy-3-naphthoate);Disodium embonate;Disodium pamoate;Pamoic acid disodium salt;Sodium pamoate; |
| EINECS: | 229-653-1 |
| Density: | 1.55[at 20℃] |
| Melting Point: | 300 °C |
| Boiling Point: | 642.7 °C at 760 mmHg |
| Flash Point: | 356.5 °C |
| Solubility: | 43g/L at 20℃ |
| Appearance: | pale yellow to yellow powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-37/38-41-48 |
| Safety: | 24/25-45-36/37/39-26-22 |
| PSA: | 120.72000 |
| LogP: | 1.72200 |
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Specification
The CAS register number of Sodium pamoate is 6640-22-8. It also can be called as 2-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydroxy-, disodium salt and the IUPAC name about this chemical is disodium 4-[(3-carboxylato-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylate. The molecular formula about this chemical is C23H14Na2O6 and the molecular weight is 432.34.
Physical properties about Sodium pamoate are: (1)ACD/LogP: 6.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 2.85; (6)ACD/BCF (pH 7.4): 2.81; (7)ACD/KOC (pH 5.5): 4.9; (8)ACD/KOC (pH 7.4): 4.82; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 93.06Å2; (13)Flash Point: 356.5 °C; (14)Enthalpy of Vaporization: 99.68 kJ/mol; (15)Boiling Point: 642.7 °C at 760 mmHg; (16)Vapour Pressure: 2.13E-17 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, it is irritating to respiratory system and skin, it also has risk of serious damage to the eyes snd it has danger of serious damage to health by prolonged exposure. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you need do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[O-]C(=O)c2cc1c(cccc1)c(c2O)Cc3c4c(cc(C([O-])=O)c3O)cccc4
(2)InChI: InChI=1/C23H16O6.2Na/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2
(3)InChIKey: YGLLICRFEVEWOZ-NUQVWONBAJ
(4)Std. InChI: InChI=1S/C23H16O6.2Na/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2
(5)Std. InChIKey: YGLLICRFEVEWOZ-UHFFFAOYSA-L