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| CAS No.: | 121848-75-7 |
|---|---|
| Name: | 10,10'-Dibromo-9,9'-bianthryl |
| Article Data: | 24 |
| Molecular Structure: | |
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|
|
| Formula: | C28H16Br2 |
| Molecular Weight: | 512.243 |
| Synonyms: | 9,9'-Bianthryl,10,10'-dibromo- (6CI);10,10'-Dibromo-9,9'-bianthracene; |
| Density: | 1.583 g/cm3 |
| Melting Point: | 357-359 °C |
| Boiling Point: | 598.992 °C at 760 mmHg |
| Flash Point: | 361.42 °C |
| Appearance: | White powder |
| PSA: | 0.00000 |
| LogP: | 9.49140 |
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- 1055-23-8
9,9'-bianthracene
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In chloroform at 20℃; | 95% |
| With bromine In carbon disulfide for 30h; Ambient temperature; | 92% |
| With N-Bromosuccinimide; acetic acid In chloroform for 3h; Reflux; | 92% |
- 1564-64-3
9-Bromoanthracene
A
- 1055-23-8
9,9'-bianthracene
B
- 122447-72-7
10-bromo-9,9′-bianthryl
C
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| In benzene Product distribution; Irradiation; photolysis; also in 1,4-dioxane, acetonitrile; | A 3.1% B 3.8% C 1.3% D 90.7% |
| In benzene Irradiation; | A 3.1% B 3.8% C 1.3% D 90.7% |
- 641144-16-3
(10-bromo-9-anthracenyl)boronic acid
- 35356-70-8
Methyl 2-acetamidoacrylate
A
- 1227732-28-6
methyl 2-acetamido-3-(10-bromoanthracen-9-yl)propanoate
B
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| With triphenyl phosphite; palladium diacetate; caesium carbonate In N,N-dimethyl-formamide at 75℃; | A 59% B 13% |
- 187-98-4
Tetradehydrodianthracene
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| With bromine In various solvent(s) Ambient temperature; | 44% |
- 641144-16-3
(10-bromo-9-anthracenyl)boronic acid
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| With Cu(OH)x has been encapsulated over montmorillonite-KSF; air In methanol at 20℃; for 1h; Green chemistry; | 41% |
- 641144-16-3
(10-bromo-9-anthracenyl)boronic acid
- 35356-70-8
Methyl 2-acetamidoacrylate
A
- 1227732-29-7
methyl 2-acetamido-3-(10-bromoanthracen-9-yl)prop-2-enoate
B
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| With triphenyl phosphite; sodium acetate; palladium diacetate In N,N-dimethyl-formamide at 75℃; | A 20% B 15% |
| Conditions | Yield |
|---|---|
| With bromine Title compound not separated from byproducts; | A 13% B 12.7 % Spectr. C n/a |
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| With carbon disulfide; bromine |
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| With carbon disulfide; bromine |
- 121848-75-7
10,10'-dibromo-9,9'-bianthryl
| Conditions | Yield |
|---|---|
| With bromine; acetic acid |
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Specification
The 10,10'-Dibromo-9,9'-bianthryl, with the cas registry number 121848-75-7, has other names as 9,9'-Bianthryl,10,10'-dibromo- (6CI).
The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 10.35; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10; (4)ACD/LogD (pH 7.4): 10; (5)#H bond acceptors: 0; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 0; (8)Index of Refraction: 1.794; (9)Molar Refractivity: 137.595 cm3; (10)Molar Volume: 323.551 cm3; (11)Polarizability: 54.547× 10-24 cm3; (12)Surface Tension: 59.062 dyne/cm; (13)Density: 1.583 g/cm3; (14)Flash Point: 361.42 °C; (15)Enthalpy of Vaporization: 85.901 kJ/mol; (16)Boiling Point: 598.992 °C at 760 mmHg
Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:Brc5c1ccccc1c(c3c2ccccc2c(Br)c4ccccc34)c6ccccc56
(2)InChI:InChI=1/C28H16Br2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
(3)InChIKey:NPNNLGXEAGTSRN-UHFFFAOYAE