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CAS No.: | 1141-38-4 |
---|---|
Name: | 2,6-Naphthalenedicarboxylic acid |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C12H8O4 |
Molecular Weight: | 216.193 |
Synonyms: | 2,6-Naphthalicacid;NSC 96410; |
EINECS: | 214-527-0 |
Density: | 1.455 g/cm3 |
Melting Point: | >300 °C(lit.) |
Boiling Point: | 437.281 °C at 760 mmHg |
Flash Point: | 232.396 °C |
Solubility: | 3μg/L at 20℃ |
Appearance: | Beige powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 74.60000 |
LogP: | 2.23620 |
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2,6-Naphthalic acid (CAS NO.1141-38-4) is used as pharmaceutical intermediate.
The 2,6-Naphthalenedicarboxylic acid, with the CAS registry number 1141-38-4. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C12H8O4 and molecular weight is 216.19. Its EINECS number is 214-527-0.What's more,Its systematic name is 2,6-Naphthalenedicarboxylic acid.It is a beige powderwhich is irritating to eyes, respiratory system and skin. So when you use it ,you should avoid contact it with your skin and eyes .And it is used as pharmaceutical intermediate.
Physical properties about 2,6-Diaminotoluene are:
(1)ACD/LogP: 2.126; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.68; (4)ACD/LogD (pH 7.4): -2.02; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.708; (13)Molar Refractivity: 57.955 cm3; (14)Molar Volume: 148.608 cm3; (15)Surface Tension: 73.6589965820313 dyne/cm; (16)Density: 1.455 g/cm3; (17)Flash Point: 232.396 °C; (18)Enthalpy of Vaporization: 73.135 kJ/mol; (19)Boiling Point: 437.281 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O;
(2)Std. InChI:InChI=1S/C12H8O4/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9/h1-6H,(H,13,14)(H,15,16);
(3)Std. InChIKey:RXOHFPCZGPKIRD-UHFFFAOYSA-N.