Basic information
- Name:
1(4H)-Naphthalenone,4-[(4-hydroxy-1-naphthalenyl)phenylmethylene]-
- Superlist Name:
- p-Naphtholbenzein
- CAS No.:
145-50-6
- Molecular Structure:
![Molecular Structure of 145-50-6 (1(4H)-Naphthalenone,4-[(4-hydroxy-1-naphthalenyl)phenylmethylene]-)](http://www.lookchem.com/300w/2010/0618/145-50-6.jpg)
- Formula:
- C27H18O2
- Molecular Weight:
- 374.43
- Deleted CAS:
- 162535-05-9
- Synonyms:
- NSC 9862;a-Naphtholbenzein;1(4H)-Naphthalenone,4-[a-(4-hydroxy-1-naphthyl)benzylidene]-(7CI,8CI);
- EINECS:
- 230-116-9
- Density:
- 1.279 g/cm3
- Melting Point:
- 230-235 °C(lit.)
- Boiling Point:
- 578.6 °C at 760 mmHg
- Flash Point:
- 242.337 °C
- Solubility:
- Insoluble in water
- Appearance:
- deep red to rust-coloured crystals
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36-37/39 Details
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Specification
The p-Naphtholbenzein with cas registry number of 145-50-6, is also called NSC 9862; a-Naphtholbenzein. The p-Naphtholbenzein belongs to the following product categories: (1)Analytical Chemistry; (2)Indicator (pH); (3)pH Indicators.
Physical properties of p-Naphtholbenzein: (1)ACD/LogP: 7.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.11; (4)ACD/LogD (pH 7.4): 7.1; (5)ACD/BCF (pH 5.5): 149896.75; (6)ACD/BCF (pH 7.4): 145868.14; (7)ACD/KOC (pH 5.5): 176345.97; (8)ACD/KOC (pH 7.4): 171606.52; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 116.18 cm3; (15)Molar Volume: 292.8 cm3; (16)Polarizability: 46.05×10-24cm3; (17)Surface Tension: 59.5 dyne/cm; (18)Enthalpy of Vaporization: 89.8 kJ/mol; (19)Vapour Pressure: 5.48E-14 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The p-Naphtholbenzein irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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/2c1ccccc1/C(C=C\2)=C(/c4c3ccccc3c(O)cc4)c5ccccc5; (2)InChI:InChI=1/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+; (3)InChIKey:VDDWRTZCUJCDJM-SOYKGTTHBE; (4)Std. InChI:InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+; (5)Std. InChIKey:VDDWRTZCUJCDJM-SOYKGTTHSA-N.