CAS No.602-09-5,1,1'-Bi-2-naphthol Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	602-09-5
Name:	1,1'-Bi-2-naphthol
Article Data:	129

Formula:	C₂₀H₁₄O₂
Molecular Weight:	286.33
Synonyms:	2, 2-Dihydroxy-1,1-dinaphthyl;1,1-Bi-2-naphthol;2,2-Dihydroxybinaphthalene;2, 2-Dihydroxydinaphthyl;2,2-Dihydroxy-1,1-dinaphthyl;Bis-.beta.-naphthol;1,1-Binaphthyl-2,2-diol;[1,1'-Binaphthalene]-2,2'-diol;[1, 1-Binaphthalene]-2,2-diol;2,2-Dinaphthol;2,2-Dihydroxy-1, 1-binaphthalene;beta-Binaphthol;alpha-Binaphthyl-2,2-diol;2,2-Dihydroxydinaphthyl;Chiral binaphthol;.beta.-Binaphthol;1, 1-Bi-2-naphthol;(±)-1,1'-Bi(2-naphthol);
EINECS:	210-014-0
Density:	1.303 g/cm³
Melting Point:	215-218 °C
Boiling Point:	462.104 °C at 760 mmHg
Flash Point:	218.932 °C
Solubility:	insoluble in water
Appearance:	white to beige powder
Hazard Symbols:	T, Xi
Risk Codes:	25-36-36/37/38
Safety:	26-45-37/39-36
Transport Information:	UN 2811 6.1/PG 3
PSA:	40.46000
LogP:	5.07120

Synthetic route

: 135-19-3
β-naphthol

: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With C24H13Cu2F9N4O7; oxygen In isopropyl alcohol at 90℃; under 760.051 Torr; for 24h;	100%
With manganese (IV) dioxide In acetonitrile at 25℃; under 760.051 Torr;	99.3%
With 2,6-dimethylpyridine; sodium perchlorate In acetonitrile electrolysis;	98.6%

: 75685-01-7
2,2'-dimethoxy-1,1'-binaphthyl

A: 35193-70-5
2-hydroxy-2'-methoxy-1,1'-binaphthyl

B: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With niobium pentachloride In toluene for 0.5h; Heating;	A 99% B 1%

: 135-19-3
β-naphthol

: 773-90-0, 860253-14-1
1-diazo-2(1H)naphthalenone

: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With palladium diacetate In dichloromethane at 20℃; for 36h; Inert atmosphere; Schlenk technique; enantioselective reaction;	98%
With iron(III) trifluoromethanesulfonate In 1,2-dichloro-ethane for 10h; Reflux; Inert atmosphere; regioselective reaction;	42%

: 135-19-3
β-naphthol

A: 633-99-8
1-chloro-2-naphthol

B: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With copper dichloride at 50 - 55℃; for 0.583333h; Neat (no solvent);	A 5% B 95%
With hydrogenchloride; iron(III) chloride

: (+)-1,1'-binaphthyl-2,2'-diyl N-<(S)-α-methylbenzyl>thiophosphoroamidate

: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃; for 2h;	95%
With lithium aluminium tetrahydride In tetrahydrofuran at 0℃;

: 173831-50-0
rac-2,2'-bis-(methoxymethoxy)-1,1'-binaphthalene

: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With 1-thiopropane; zinc dibromide In dichloromethane at 20℃; for 0.116667h; Inert atmosphere;	95%

: 121794-31-8
C38H20Cl2O4

: 1-(2-Carboxy-4,6-dichloro-phenyl)-naphthalene-2-carboxylic acid

B: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With potassium hydroxide In ethanol	A 93% B n/a

: 100465-50-7
<1,1'-Binaphthalene>-2,2'-diol dibutanoate

: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 25℃; for 18h;	92%

: 121794-33-0
C38H21NO6

: 1-(2-Carboxy-6-nitro-phenyl)-naphthalene-2-carboxylic acid

B: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With potassium hydroxide In ethanol	A 91% B n/a

: 121794-32-9
C34H17Cl2NO6

: 4,6-Dichloro-6'-nitro-biphenyl-2,2'-dicarboxylic acid

B: 602-09-5
1,1'-bi-2-naphthol

Conditions

Conditions	Yield
With potassium hydroxide In ethanol	A 90% B 88%

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Specification

The IUPAC name of Chiral binaphthol is 1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol. With the CAS registry number 602-09-5, it is also named as 1,1'-Bi-2-naphthol. The product's categories are Intermediates of Dyes and Pigments; Naphthalene Derivatives; Aromatic Hydrocarbons (substituted) & Derivatives; API Intermediates; Miscellaneous, and the other registry number is 41024-90-2. Besides, it is white to beige powder, which should be stored in sealed, cool and dark place at 2-8 °C. In addition, its molecular formula is C₂₀H₁₄O₂ and molecular weight is 286.33.

The other characteristics of this product can be summarized as: (1)EINECS: 210-014-0; (2)ACD/LogP: 4.86; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.86; (5)ACD/LogD (pH 7.4): 4.807; (6)ACD/BCF (pH 5.5): 2907.255; (7)ACD/BCF (pH 7.4): 2575.611; (8)ACD/KOC (pH 5.5): 10484.676; (9)ACD/KOC (pH 7.4): 9288.638; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 3; (13)Index of Refraction: 1.758; (14)Molar Refractivity: 90.293 cm³; (15)Molar Volume: 219.809 cm³; (16)Surface Tension: 62.615 dyne/cm; (17)Density: 1.303 g/cm³; (18)Flash Point: 218.932 °C; (19)Melting Point: 215-218 °C; (20)Solubility: Dioxane: 50 mg/mL; (21)Enthalpy of Vaporization: 75.079 kJ/mol; (22)Boiling Point: 462.104 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Chiral binaphthol: this chemical can be prepared by coupling of 2-Naphthol with Copper(II) chloride.

You also can use iron(III) chloride as an oxidant to produce it. Additionally, this product is obtained from racemic Binol by optical resolution.

Uses of Chiral binaphthol: this chemical is often used as a ligand for transition-metal catalysed asymmetric synthesis. Similarly, it can react with Lithium aluminium hydride to get AlLibis(binaphthoxide).

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also toxic if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc2c(c1)ccc(c2c3c4ccccc4ccc3O)O
(2)InChI: InChI=1/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
(3)InChIKey: PPTXVXKCQZKFBN-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	oral	42mg/kg (42mg/kg)		Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.