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CAS No.: | 145-50-6 |
---|---|
Name: | p-Naphtholbenzein |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C27H18O2 |
Molecular Weight: | 374.439 |
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: | 26-36-37/39 |
PSA: | 37.30000 |
LogP: | 6.25700 |
α-naphthol
Benzotrichlorid
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
for 0.166667h; Heating; | 34% |
α-naphthol
Benzotrichlorid
A
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
for 0.166667h; Heating; | A n/a B 10.5% |
for 0.166667h; Heating; |
α-naphthol
2-methoxy-phenol
Benzotrichlorid
A
4-(4-hydroxy-3-methoxy-benzhydrylidene)-2-methoxy-cyclohexa-2,5-dienone
B
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
With aluminium trichloride for 0.166667h; Heating; | A n/a B n/a C 4.8% |
α-naphthol
ortho-cresol
Benzotrichlorid
A
4-(4-hydroxy-3-methyl-benzhydrylidene)-2-methyl-cyclohexa-2,5-dienone
B
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
for 0.166667h; Heating; | A n/a B n/a C 3.8% |
α-naphthol
benzene-1,2-diol
Benzotrichlorid
A
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
for 0.166667h; Heating; | A n/a B n/a C 3.2% |
o-Hydroxyethylbenzene
α-naphthol
Benzotrichlorid
A
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
for 0.166667h; Heating; | A n/a B n/a C 1.8% |
α-naphthol
2-hydroxybromobenzene
Benzotrichlorid
A
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
With aluminium trichloride for 0.166667h; Heating; | A n/a B n/a C 1.8% |
5-propylphenol
α-naphthol
Benzotrichlorid
A
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
With aluminium trichloride for 0.166667h; Heating; | A n/a B n/a C 1.5% |
α-naphthol
Benzotrichlorid
phenol
A
benzaurine
B
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
Conditions | Yield |
---|---|
for 0.166667h; Heating; | A n/a B n/a C 1.5% |
(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon
bis(4-hydroxy-1-naphtyl)phenylmethane
Conditions | Yield |
---|---|
With sodium tetrahydroborate In ethanol | 95.2% |
With reducing reagent Yield given; |
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.