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p-Naphtholbenzein
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Name

p-Naphtholbenzein

 EINECS 230-116-9
CAS No. 145-50-6 Density 1.279 g/cm3
PSA 37.30000 LogP 6.25700
Solubility Insoluble in water Melting Point 230-235 °C(lit.)
Formula C27H18O2 Boiling Point 578.6 °C at 760 mmHg
Molecular Weight 374.439 Flash Point 242.337 °C
Transport Information N/A Appearance deep red to rust-coloured crystals
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 145-50-6 (p-Naphtholbenzein) Hazard Symbols IrritantXi
Synonyms

NSC 9862;a-Naphtholbenzein;1(4H)-Naphthalenone,4-[a-(4-hydroxy-1-naphthyl)benzylidene]-(7CI,8CI);

Article Data 3

p-Naphtholbenzein Synthetic route

90-15-3

α-naphthol

98-07-7

Benzotrichlorid

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

Conditions
ConditionsYield
for 0.166667h; Heating;34%
90-15-3

α-naphthol

98-07-7

Benzotrichlorid

A

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

B

5-oxo-14-phenyl-5H-dibenzoxanthene

Conditions
ConditionsYield
for 0.166667h; Heating;A n/a
B 10.5%
for 0.166667h; Heating;
90-15-3

α-naphthol

90-05-1

2-methoxy-phenol

98-07-7

Benzotrichlorid

A

55252-36-3

4-(4-hydroxy-3-methoxy-benzhydrylidene)-2-methoxy-cyclohexa-2,5-dienone

B

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

C

4-[1-(4-Hydroxy-3-methoxy-phenyl)-1-phenyl-meth-(E)-ylidene]-4H-naphthalen-1-one

Conditions
ConditionsYield
With aluminium trichloride for 0.166667h; Heating;A n/a
B n/a
C 4.8%
...Expand
90-15-3

α-naphthol

95-48-7

ortho-cresol

98-07-7

Benzotrichlorid

A

5664-07-3

4-(4-hydroxy-3-methyl-benzhydrylidene)-2-methyl-cyclohexa-2,5-dienone

B

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

C

4-[1-(4-Hydroxy-3-methyl-phenyl)-1-phenyl-meth-(E)-ylidene]-4H-naphthalen-1-one

Conditions
ConditionsYield
for 0.166667h; Heating;A n/a
B n/a
C 3.8%
...Expand
90-15-3

α-naphthol

120-80-9

benzene-1,2-diol

98-07-7

Benzotrichlorid

A

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

B

4-[1-(3,4-Dihydroxy-phenyl)-1-phenyl-meth-(Z)-ylidene]-2-hydroxy-cyclohexa-2,5-dienone

C

4-[1-(3,4-Dihydroxy-phenyl)-1-phenyl-meth-(E)-ylidene]-4H-naphthalen-1-one

Conditions
ConditionsYield
for 0.166667h; Heating;A n/a
B n/a
C 3.2%
...Expand
90-00-6

o-Hydroxyethylbenzene

90-15-3

α-naphthol

98-07-7

Benzotrichlorid

A

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

B

2-Ethyl-4-[1-(3-ethyl-4-hydroxy-phenyl)-1-phenyl-meth-(Z)-ylidene]-cyclohexa-2,5-dienone

C

4-[1-(3-Ethyl-4-hydroxy-phenyl)-1-phenyl-meth-(E)-ylidene]-4H-naphthalen-1-one

Conditions
ConditionsYield
for 0.166667h; Heating;A n/a
B n/a
C 1.8%
...Expand
90-15-3

α-naphthol

95-56-7

2-hydroxybromobenzene

98-07-7

Benzotrichlorid

A

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

B

2-Bromo-4-[1-(3-bromo-4-hydroxy-phenyl)-1-phenyl-meth-(Z)-ylidene]-cyclohexa-2,5-dienone

C

4-[1-(3-Bromo-4-hydroxy-phenyl)-1-phenyl-meth-(E)-ylidene]-4H-naphthalen-1-one

Conditions
ConditionsYield
With aluminium trichloride for 0.166667h; Heating;A n/a
B n/a
C 1.8%
...Expand
644-35-9

5-propylphenol

90-15-3

α-naphthol

98-07-7

Benzotrichlorid

A

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

B

4-[1-(4-Hydroxy-3-propyl-phenyl)-1-phenyl-meth-(Z)-ylidene]-2-propyl-cyclohexa-2,5-dienone

C

4-[1-(4-Hydroxy-3-propyl-phenyl)-1-phenyl-meth-(E)-ylidene]-4H-naphthalen-1-one

Conditions
ConditionsYield
With aluminium trichloride for 0.166667h; Heating;A n/a
B n/a
C 1.5%
...Expand
90-15-3

α-naphthol

98-07-7

Benzotrichlorid

108-95-2

phenol

A

569-60-8

benzaurine

B

145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

C

4-[1-(4-Hydroxy-phenyl)-1-phenyl-meth-(E)-ylidene]-4H-naphthalen-1-one

Conditions
ConditionsYield
for 0.166667h; Heating;A n/a
B n/a
C 1.5%
...Expand
145-50-6

(E/Z)-4-<(4-Hydroxy-1-naphthyl)phenylmethylen>-1(4H)-naphthalinon

84148-54-9

bis(4-hydroxy-1-naphtyl)phenylmethane

Conditions
ConditionsYield
With sodium tetrahydroborate In ethanol95.2%
With reducing reagent Yield given;

p-Naphtholbenzein 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.

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