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Rubinola Red
CAS: 5281-04-9 | C18H14CaN2O6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5281-04-9
Molecular Formula:
C18H14CaN2O6S
Molecular Weight:
426.4630000000002 g/mol
Names and Synonyms:
Rubinola Red
Rubine BHA
Lithol Rubine Bk
Lake Rubine SK
2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(4-methyl-2-sulfophenyl)diazenyl]-, calcium salt (1:1)
C.I. Pigment Red 57, calcium salt (1:1)
C.I. Pigment Red 57 calcium salt
Seikafast Carmine 6B1480
2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1)
1862 Red
Brilliant Carmine 4B
Brilliant Carmine 6B
Carmine 6B
C.I. 15850 calcium salt
Dainichi Brilliant Carmine 6B
Dainichi Brilliant Carmine 6B Toner
Dainichi Brilliant Carmine 6BH
Eljon Rubine 4BP
Eljon Rubine 5BP
Eljon Rubine 6BP
Latexol Rubine B
Lithol Rubine BCA
Lithol Rubine 4BK
Lithol Rubine 6BK
Lithol Rubine 6RN
Lithol Rubine BKN
Lithol Rubine Resinated
Lithol Rubine Toner BK extra
Lithosol Rubine B
Lithosol Rubine BLM
Mazda Rubine
Perca Red FL
PV-Rubine B
Recolite Rubine 4B
Rubine BKL Toner
Rubine Pigment BK
Rubine Toner 4BA
Sanyo Brilliant Carmine 6B
Sanyo Lithol Rubine BKN
Sico Fast Red P 6R
Symuler Brilliant Carmine 6B
Versal Fast Red F 6R
Vulcafix Rubine B
Vulcafor Claret YA
Vulcanosine Rubine BK
D and C Red No. 7
Brilliant Rubine BKN
Fast Rubine 4B
Graphtol Rubine BP
Irgalite Crimson SC
Kromon Super Crimson
Lake Rubine R
Lake Rubine BC
Lithol Rubine R 9
Lithol Rubine R 6142
Lithol Rubine BK 19577
Lithol Rubine BK 27689
Lithol Rubine BKR 01234
Lithol Rubine BND
Lithol Rubine 4B Calcium Toner
Lithol Rubine F 6R Extra
Lithol Rubine Toner
Lithol Rubine Toner BKL
Lithol Rubine Toner Dark RT 400
Micro-tex Rubanox Red
National Red
No. 6 Conc. Crimson
Oralith Rubine PB
Permanent Red 4B Calcium Lake
Rubine Lake
Sanyo Brilliant Carmine 6BN
Segnale Rubine F 6R
Segnale Rubine BKC
Selkirk Red X 2028
Tertropigment Red PF 6R
Tertropigment Rubine LBK lake
Versal Rubine BNCAE
Versal Rubine PBNCAE
Vulcol Rubine BK
Pigment Rubine
C.I. Pigment Red 57:1
Vintage Red
Mini Red
Red No. 202
Isol Ruby BKS Calcium Salt
Lithol ruby
Carmine Brilliant 6B
Isol Bona Rubine BKS 7520
Permanent Rubine L 7B
Rubine Lake SK
Rubine SK
Pigment Lake Rubine SK
Lake Ruby SK
3-Hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-2-naphthoic acid calcium salt (1:1)
Segnale Rubine BKC 2
Segnale Rubine 6B1
Segnale Rubine 6B2
Segnale Rubine BK
Segnale Rubine 6B
Japan Red 202
Japan Red No. 202
Pigment Red 57:1
Lithol Rubine BK
Permanent Rubine L 6B
Isol Bona Rubine 4BK
Lithol Rubine D 4565
Symuler Brilliant Carmine 6B236
Sanyo Fast Red F 6R
Graphtol Rubine BAS
Lufilen Red 45-6000
Sumikaprint Carmine 6B-O
Lithol Rubine 4580
Lithol Rubine D 4625
Ariabel Rubicon 300501
Lionol Red 7B-FG4412
Lithol Rubine
KET Red 306
KET Red 307
Seikafast Carmine 1480
Lithol Rubine DCC 2734
Sumikaprint Carmine 6BN-OA
Seikafast Carmine 6B1478
Lionol Red 6B-FG4297G
Lionol Red 6B-FG4213
C.I. 15850:1
Lionol Red 6B-FG4291X
Irgalite Red 4BP
Seikafast Carmine 6B1483
Sumikaprint Carmine 6BC550
Lionel Red 7B-FG4417X
Lionol Red Carmine 6B-FG4200
Lionol Red 6B-FG4200
Lionol Red 6B-FG4219X
Irgalite Rubine 4BL
Irgalite Rubine L 4BN
Lithol Rubine 4B
Irgalite Rubine 4BP
Irgalite Rubine L 4BD
Symuler Brilliant Carmine 6B288E
Lionol Red 6B4290G
Irgalite Rubine LPBC
Irgalite Rubine L 4BF
Irgalite Rubine L 4BE
Irgalite Rubine L 4BJ
Irgalite Rubine L 4BY
Irgalite Rubine PBC
Pigment Rubine 57.1
Lithol Rubine D 4560
Lithol Rubine D 4577
Sumikaprint Carmine 6BC
D & C Red 7
Symuler Brilliant Carmine 6B233S
First Carmine 1480
Sumikaprint Carmine 6BC450
Flexiverse RFD 9587
KET Red 337
Seikafast Carmine 6B1476T7
D&C Red No. 7
Lithol Rubine D 4575GN
Sunbrite Red 57:1
Symuler Brilliant Carmine 6B229
Irgalite Rubine LB 4N
C 19O11
Sunbrite Red 219-0688
Red 7 calcium lake
Lithol Rubine D 4576
D and C Red 7 calcium lake
Lionol Red 6B4290F
D&C Red 7 Ca Lake
Isol Bona Magenta 4BY
Toner Magenta 6B
D&C Red 7 calcium lake
Lionol Red FG 4213
ECR 101
LR 1392
FD&C Red No 7
Symuler Brilliant Carmine 6B306
Red No. 7
Brilliant Red 6B
Sunbrite Rubine 4BK
Seikafast Carmine 1476T7
PR 57:1
LR 1405DC
Magruder LR 1405DC
Red 7
E 180
E 180 (dye)
D&C Red No. 6 Calcium Lake
Irgalite Rubine 4BGL
Carmine 6B300
Symuler Brilliant Carmine 6B300
Print Rubine 4570
Irgalite Magenta SMB
Rubine F 6B05
Flexiverse Red 57:1
Oppasin Rubine 4630
Unipure Red LC 3079
Permanent Rubine L 4B01
Permanent Rubine L 5B01
Irgalite Rubine 4BV
Symular Brilliant Carmine 6B321
Sumikaprint Carmine 6BC457
Lithol Rubine A 6B 3162
3162 Lithol Rubine A 6B
6B300
K-RCP-R 202SG
ECR 102
RCD 9272
RFD 9587
WD-R 7-15
Permanent Rubine LPM
Symyler Brilliant Carmine 6B350SD
Irgalite Rubine D 4240
Symuler Brilliant Carmine 6B401
Magenta PR 57
Lithol Rubbine
Permanent Pigment L 5B01
Carmine 1476T7
Carmine 8B
Carmine 4B
Lionol Red TT 5718
Lavanya Indica
Permanent Rubine Red L 5B01
C 19-7711
Symuler Carmine 6B401
Yanghong YHD
MDN 1153
Permanent Rubine P-L 5B01
Identifiers:
SMILES:
Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1.[Ca]
InChI:
InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| wikipedia-name | Lithol Rubine BK None | Legacy Database |
| molecular_mass | 426.46 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Lithol_Rubine_BK None | Legacy Database |
| cas-canonical-smile | [Ca].O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC=C(C=C3S(=O)(=O)O)C)=C1O None | Legacy Database |
| cas-inchi | InChI=1S/C18H14N2O6S.Ca/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;/h2-9,21H,1H3,(H,22,23)(H,24,25,26); None | Legacy Database |
| cas-inchi-key | InChIKey=PPVZMZJCKBHXOT-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Pigment Red 57:1 None | Legacy Database |
| LogP | 3.833320000000003 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 426.4630000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 426.019848148 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 28 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 136.61999999999998 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 103.49570000000004 | RDKit |
