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Survey of azo-colorants in Denmark

 

 

Appendix 4B QSAR.
CI-name

CI-no.

CAS-no.

MW

MP

MP

BP

SOLW

SOLW

       

ºC

ºC

ºC

mg/l

mg/l

        

meas.

est.

est.

meas.

est.

Acid Black 1

20470

1064-48-8

618.52

 

350

957

 

9,535

Acid Black 26

27070

6262-07-3

697.65

 

350

1,128

 

0.0048

Acid Blue 92

13390

3861-73-2

695.58

 

350

1,109

 

38.69

Acid Blue 113

26360

3351-05-1

681.65

 

350

1,093

 

0.0025

Acid Orange 7

15510

633-96-5

351.35

 

315

720

 

433,000

Acid Orange 10

16230

1936-15-8

452.38

 

350

815

80,000

1.00E+06

Acid Orange 67

14172

12220-06-3

549.56

 

350

969

 

17.78

Acid Red 1

18050

3734-67-6

511.43

 

350

894

 

27,230

Acid Red 14

14720

3567-69-9

502.43

 

350

907

 

75.57

Acid Red 26

16150

3761-53-3

480.42

 

350

860

 

1,580

Acid Red 27

16185

915-67-3

607.51

 

350

981

 

73,820

Acid Red 73

27290

5413-75-2

556.48

 

350

951

 

68.34

Acid Red 114

23635

6459-94-5

830.85

185

350

1,240

>500

5.77E-05

Acid Violet 12

18075

6625-46-3

541.46

 

350

960

 

28,570

Acid Yellow 17

18965

6359-98-4

551.30

 

350

902

 

432.7

Acid Yellow 23

19140

1934-21-0

534.37

 

350

870

 

1.00E+06

Acid Yellow 25

18835

6359-85-9

550.57

 

350

969

 

17.78

Acid Yellow 36

13065

587-98-4

375.38

582

325

741

 

644.3

Basic Brown 1

21000

10114-58-6

419.32

 

252

585

 

28.23

Basic Brown 4

21010

8005-78-5

460.38

 

269

620

 

0.62

Basic Orange 1

11320

4438-16-8

260.73

 

156

416

 

11.16

Basic Orange 2

11270

532-82-1

246.70

 

131

382

 

139.2

Basic Red 18

11085

14097-03-1

390.90

 

273

628

 

8.62

Direct Black 19

35255

6428-31-5

839.78

 

350

1,230

 

1.457

Direct Black 38

30235

1937-37-7

781.73

 

350

1,291

 

0.146

Direct Blue 1*

24410

2610-05-1

996.88

     

40,000

3.51E-06

Direct Blue 6*

22610

2602-46-2

932.78

 

350

1,346

 

1.23E-05

Direct Blue 8

24140

2429-71-2

758.69

 

350

1,219

 

4.51

Direct Blue 1*

23850

72-57-1

872.87

>300

350

1,370

<100

9.24E-07

Direct Blue 53*

23860

314-13-6

872.87

 

350

1,370

 

9.24E-07

Direct Brown 95*

30145

16071-86-6

682.58

 

350

1,105

 

0.998

Direct Red 1

22310

2429-84-7

603.59

 

350

1,090

 

0.317

Direct Red 2

23500

992-59-6

724.72

 

350

1,193

 

4.57E-04

Direct Red 28

22120

573-58-0

696.67

 

350

1,170

 

0.006

Direct Red 79

29065

1937-34-4

1,052.92

 

350

903

 

2.17E+05

Direct Red 81

28160

2610-11-9

675.61

 

350

1,143

 

2.805

Direct Yellow 50*

29025

3214-47-9

876.95

887

350

1,292

 

6.22E-06

Disperse Blue

11077

41642-51-7

405.42

 

272

627

 

0.129

Disperse Blue 79

11345

12239-34-8

639.42

 

323

737

 

6.15E-04

Disperse Blue 79

11345

3956-55-6

625.39

146

318

726

6.25E-04

3.22E-03

Disperse Blue 130  

16421-40-2

584.98

 

331

753

 

3.99E-04

Disperse Orange  

4058-30-4

382.81

 

236

549

 

0.15

Disperse Orange 3

11005

730-40-5

242.24

215

147

399

0.339

8.304

Disperse Orange 5

11100

6232-56-0

369.21

127

205

483

0.170

0.0941

Disperse Orange 73  

40690-89-9

443.46

 

257

594

<10

0.0046

Disperse Red  

63833-78-3

544.57

 

326

743

 

0.0051

Disperse Red  

68385-96-6

378.44

 

250

579

 

0.1645

Disperse Red

11114

12223-39-1

406.40

 

244

568

 

0.3347

Disperse Red 1

11110

2872-52-8

314.35

165

185

457

0.189

0.7957

Disperse Red 5

11215

3769-57-1

378.82

192

227

531

0.416

0.3254

Disperse Red 7

11150

4540-00-5

364.50

190

222

520

0.401

1.086

Disperse Red 167  

61968-52-3

519.95

 

281

646

<10

0.0049

Disperse Red 206  

26630-87-5

582.08

 

292

671

<10

8.53E-05

Disperse Red 324  

71617-28-2

426.26

 

260

602

 

0.1422

Disperse Yellow 3

Solvent Yellow 77

11855

2832-40-8

269.31

195

197

467

1.185

10.25

Disperse Yellow 163  

71767-67-4

417.25

 

244

568

0.660

0.0258

Food Red 1

14700

4548-53-2

480.42

 

350

860

 

1,580

Food Red 6 16155 3564-09-8 494.45