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2,6-Naphthalenedicarboxylic acid

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Name

2,6-Naphthalenedicarboxylic acid

EINECS 214-527-0
CAS No. 1141-38-4 Density 1.455 g/cm3
PSA 74.60000 LogP 2.23620
Solubility 3μg/L at 20℃ Melting Point >300 °C(lit.)
Formula C12H8O4 Boiling Point 437.281 °C at 760 mmHg
Molecular Weight 216.193 Flash Point 232.396 °C
Transport Information N/A Appearance Beige powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 1141-38-4 (2,6-Naphthalenedicarboxylic acid) Hazard Symbols IrritantXi
Synonyms

2,6-Naphthalicacid;NSC 96410;

Article Data 60

2,6-Naphthalenedicarboxylic acid Uses

  2,6-Naphthalic acid (CAS NO.1141-38-4) is used as pharmaceutical intermediate.

2,6-Naphthalenedicarboxylic acid Specification

 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.

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