CAS No.7128-64-5,2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7128-64-5
Name:	2,5-Bis(5-tert-butyl-2-benzoxazolyl)thiophene
Article Data:	12
Cas Database

Formula:	C₂₆H₂₆N₂O₂S
Molecular Weight:	430.571
Synonyms:	B-184;FBA 184;OptiblancPL;UVITEX;2,4-DICHLORO-5-BROMOPYRIMIDINE,COLOURLESS OIL;EUTEX OB-RC;bbot150;UVITEX OB;UVITEX 2B;
EINECS:	230-426-4
Density:	1.185 g/cm³
Melting Point:	199-201 °C(lit.)
Boiling Point:	531.2 °C at 760 mmHg
Flash Point:	275.1 °C
Solubility:	Soluble in acetone and toluene. Insoluble in water.
Appearance:	light yellow-green crystals
Risk Codes:	36/37/38
Safety:	24/25
PSA:	80.30000
LogP:	7.95950

Synthetic route

: 4282-31-9
Thiophene-2,5-dicarboxylic acid

: 1199-46-8
2-amino-4-tert-butylphenol

: 7128-64-5
Uvitex OB

Conditions

Conditions	Yield
With boric acid In toluene at 170 - 240℃; Solvent; Temperature; Inert atmosphere;	98.7%

: Thiophene-2,5-dicarboxylic acid bis-[(5-tert-butyl-2-hydroxy-phenyl)-amide]

: 7128-64-5
Uvitex OB

Conditions

Conditions	Yield
at 200℃; for 3h; Yield given;

: 3857-36-1
thiophene-2,5-dicarbonyl dichloride

: 7128-64-5
Uvitex OB

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Heating 2: 3 h / 200 °C View Scheme

: 4282-31-9
Thiophene-2,5-dicarboxylic acid

: 7128-64-5
Uvitex OB

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: N-methyl-2-pyrrolidone, thionyl chloride 2: Heating 3: 3 h / 200 °C View Scheme

: 14285-68-8
decacarbonyldirhenium(0)

: 81-54-9
1,2,4-trihydroxy-9,10-anthraquinone

: 7128-64-5
Uvitex OB

: [(Re(CO)3)4(2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene)2(1,2,4-trihydroxy-9,10-anthraquinone(-2H))2]

Conditions

Conditions	Yield
In 1,2,5-trimethyl-benzene under reflux;	99%

...Expand

: 14285-68-8
decacarbonyldirhenium(0)

: 81-64-1
1,4-dihydroxy-9,10-anthracenedione

: 7128-64-5
Uvitex OB

: 918153-35-2
[(Re(CO)3)4(2,5-bis(5-tert-butyl-2-benzoxazolyl)thiophene)2(1,4-dihydroxy-9,10-anthraquinone(-2H))2]

Conditions

Conditions	Yield
In 1,2,5-trimethyl-benzene under reflux;	99%

...Expand

: iron (III) bromide

: 7128-64-5
Uvitex OB

: (2,5-bis-(5-tert-butyl-2-benzoxazolyl)thiophene)FeBr3

Conditions

Conditions	Yield
In tetrahydrofuran Stirring for several h; Under Ar or N2;	98%

: 14285-68-8
decacarbonyldirhenium(0)

: 81-54-9
1,2,4-trihydroxy-9,10-anthraquinone

: 7128-64-5
Uvitex OB

: C76H33N4O26Re4S2

Conditions

Conditions	Yield
In 1,3,5-trimethyl-benzene Heating / reflux;

...Expand

: 14285-68-8
decacarbonyldirhenium(0)

: 81-64-1
1,4-dihydroxy-9,10-anthracenedione

: 7128-64-5
Uvitex OB

: C76H33N4O24Re4S2

Conditions

Conditions	Yield
In 1,3,5-trimethyl-benzene Heating / reflux;

...Expand

Raw Materials

4282-31-9

3857-36-1

Total:197 Page 1 of 6 1 2 3 4 5 6 Next>>

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Fluorescent Brightener 184, with the CAS registry number 7128-64-5,is also known as 2,5-Bis(5'-tert-butyl-2-benzoxazol-2-yl)thiophene; 2,5-Di(5-tert-butylbenzoxazol-2-yl)thiophene; BBOT. It belongs to the product categories of Industrial/Fine Chemicals;Organics;Electroluminescence;Functional Materials. This chemical's molecular formula is C₂₆H₂₆N₂O₂S and molecular weight is 430.56. What's more,Its systematic name is 2,5-Thiophenediylbis(5-tert-butyl-1,3-benzoxazole). It is a light yellow-green crystals which is stable,incompatible with strong oxidizing agents. It is irritating to eyes, respiratory system and skin,when you use it ,you should avoid contact with skin and eyes.

Physical properties about Fluorescent Brightener 184 are:
(1)ACD/LogP: 7.221; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 7.22; (4)ACD/LogD (pH 7.4): 7.22; (5)ACD/BCF (pH 5.5): 180379.00; (6)ACD/BCF (pH 7.4): 180987.80; (7)ACD/KOC (pH 5.5): 201156.00; (8)ACD/KOC (pH 7.4): 201835.00; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.617; (13)Molar Refractivity: 127.062 cm³; (14)Molar Volume: 363.126 cm³; (15)Surface Tension: 44.3610000610352 dyne/cm; (16)Density: 1.186 g/cm³; (17)Flash Point: 275.064 °C; (18)Enthalpy of Vaporization: 77.636 kJ/mol; (19)Boiling Point: 531.207 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:o1c5c(nc1c2sc(cc2)c3nc4cc(ccc4o3)C(C)(C)C)cc(cc5)C(C)(C)C;
(2)Std. InChI:InChI=1S/C26H26N2O2S/c1-25(2,3)15-7-9-19-17(13-15)27-23(29-19)21-11-12-22(31-21)24-28-18-14-16(26(4,5)6)8-10-20(18)30-24/h7-14H,1-6H3;
(3)Std. InChIKey:AIXZBGVLNVRQSS-UHFFFAOYSA-N.

The toxicity data of Fluorescent Brightener 184 are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 10gm/kg (10000mg/kg)		MVC-Report. Vol. 2, Pg. 193, 1973.