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10,10'-Dibromo-9,9'-bianthryl

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Name

10,10'-Dibromo-9,9'-bianthryl

EINECS N/A
CAS No. 121848-75-7 Density 1.583 g/cm3
PSA 0.00000 LogP 9.49140
Solubility N/A Melting Point 357-359 °C
Formula C28H16Br2 Boiling Point 598.992 °C at 760 mmHg
Molecular Weight 512.243 Flash Point 361.42 °C
Transport Information N/A Appearance White powder
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 121848-75-7 (10,10'-Dibromo-9,9'-bianthryl) Hazard Symbols N/A
Synonyms

9,9'-Bianthryl,10,10'-dibromo- (6CI);10,10'-Dibromo-9,9'-bianthracene;

Article Data 24

10,10'-Dibromo-9,9'-bianthryl Synthetic route

1055-23-8

9,9'-bianthracene

121848-75-7

10,10'-dibromo-9,9'-bianthryl

Conditions
ConditionsYield
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

D

C28H18Br2

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With triphenyl phosphite; sodium acetate; palladium diacetate In N,N-dimethyl-formamide at 75℃;A 20%
B 15%
64-18-6

formic acid

187-98-4

Tetradehydrodianthracene

A

121848-75-7

10,10'-dibromo-9,9'-bianthryl

B

Formic acid 10'-bromo-[9,9']bianthracenyl-10-yl ester

C

C29H17BrO2

Conditions
ConditionsYield
With bromine Title compound not separated from byproducts;A 13%
B 12.7 % Spectr.
C n/a
dianthranyl

dianthranyl

121848-75-7

10,10'-dibromo-9,9'-bianthryl

Conditions
ConditionsYield
With carbon disulfide; bromine
dianthryl

dianthryl

121848-75-7

10,10'-dibromo-9,9'-bianthryl

Conditions
ConditionsYield
With carbon disulfide; bromine
dinitrodianthryl

dinitrodianthryl

121848-75-7

10,10'-dibromo-9,9'-bianthryl

Conditions
ConditionsYield
With bromine; acetic acid

10,10'-Dibromo-9,9'-bianthryl 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

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