CAS No.145-50-6,p-Naphtholbenzein Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	145-50-6
Name:	p-Naphtholbenzein
Article Data:	3

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

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

Conditions	Yield
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

Conditions	Yield
for 0.166667h; Heating;	A n/a B 10.5%
for 0.166667h; Heating;

...Expand

: 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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
With sodium tetrahydroborate In ethanol	95.2%
With reducing reagent Yield given;

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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.