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| CAS No.: | 613-08-1 |
|---|---|
| Name: | 2-ANTHRACENECARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C15H10O2 |
| Molecular Weight: | 222.243 |
| Synonyms: | 2-Anthroicacid (7CI,8CI);NSC 406583; |
| Density: | 1.305 g/cm3 |
| Melting Point: | 289 °C |
| Boiling Point: | 435.4 °C at 760 mmHg |
| Flash Point: | 194.8 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 37.30000 |
| LogP: | 3.69120 |
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Specification
The 2-Anthracenecarboxylicacid is an organic compound with the formula C15H10O2. The IUPAC name of this chemical is anthracene-2-carboxylic acid. With the CAS registry number 613-08-1, it is also named as 2-anthroic acid. The product's categories are Absolute Configuration Determination (Exciton Chirality CD Method); Analytical Chemistry; Anthracenes; Enantiomer Excess & Absolute Configuration Determination; Exciton Chirality CD Method (for Hydroxyl Groups). Besides, it should be stored in a closed cool and dry place.
Physical properties about 2-Anthracenecarboxylicacid are: (1)ACD/LogP: 4.36; (2)ACD/LogD (pH 5.5): 3.04; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 58.52; (5)ACD/BCF (pH 7.4): 1.61; (6)ACD/KOC (pH 5.5): 271.27; (7)ACD/KOC (pH 7.4): 7.48; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.743; (13)Molar Refractivity: 68.86 cm3; (14)Molar Volume: 170.1 cm3; (15)Polarizability: 27.3×10-24cm3; (16)Surface Tension: 61.7 dyne/cm; (17)Density: 1.305 g/cm3; (18)Flash Point: 194.8 °C; (19)Enthalpy of Vaporization: 72.9 kJ/mol; (20)Boiling Point: 435.4 °C at 760 mmHg; (21)Vapour Pressure: 2.37E-08 mmHg at 25°C.
Preparation of 2-Anthracenecarboxylicacid: this chemical can be prepared by 9,10-dioxo-9,10-dihydro-anthracene-2-carboxylic acid. This reaction will need reagents zinc dust, diluted ammonia.
Uses of 2-Anthracenecarboxylicacid: it can be used to produce 2-anthrylmethanol. It will need reagent LiAlH4. The yield is about 54%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c3ccc2cc1ccccc1cc2c3
(2)InChI: InChI=1/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)
(3)InChIKey: RZRJYURCNBXIST-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C15H10O2/c16-15(17)13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)9-13/h1-9H,(H,16,17)
(5)Std. InChIKey: RZRJYURCNBXIST-UHFFFAOYSA-N