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CAS No.: | 2224-00-2 |
---|---|
Name: | 2-ETHOXY-1-NAPHTHOIC ACID |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C13H12O3 |
Molecular Weight: | 216.236 |
Synonyms: | 1-Naphthoicacid, 2-ethoxy- (7CI,8CI);2-Ethoxy-1-naphthoic acid; |
EINECS: | 218-745-7 |
Density: | 1.1652 (rough estimate) |
Melting Point: | 141-145 °C |
Boiling Point: | 398.7 °C at 760 mmHg |
Flash Point: | 156.2 °C |
Appearance: | white to pale brown crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25 |
PSA: | 46.53000 |
LogP: | 2.93670 |
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This chemical is called 2-Ethoxy-1-naphthoic acid, and it can also be named as 1-naphthalenecarboxylic acid, 2-ethoxy-. With the molecular formula of C13H12O3, its molecular weight is 216.23. The CAS registry number of this chemical is 2224-00-2. Additionally, this chemical is white to pale brown crystalline powder.
Other characteristics of the 2-Ethoxy-1-naphthoic acid can be summarised as followings: (1)ACD/LogP: 3.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.46; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 2.78; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.26; (8)ACD/KOC (pH 7.4): 1.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 62.33 cm3; (15)Molar Volume: 176.5 cm3; (16)Polarizability: 24.71×10-24cm3; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.224 g/cm3; (19)Flash Point: 156.2 °C; (20)Enthalpy of Vaporization: 68.48 kJ/mol; (21)Boiling Point: 398.7 °C at 760 mmHg; (22)Vapour Pressure: 4.49E-07 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. In case of contacting 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)c1c2c(ccc1OCC)cccc2
2.InChI: InChI=1/C13H12O3/c1-2-16-11-8-7-9-5-3-4-6-10(9)12(11)13(14)15/h3-8H,2H2,1H3,(H,14,15)
3.InChIKey: MYFBSSDLYGWAHH-UHFFFAOYAT