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Molecule
Lithol Rubine Bk
CAS: 5281-04-9 · C18H14CaN2O6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 5281-04-9
- Molecular Formula
- C18H14CaN2O6S
- Molecular Mass
- 426.46 g/mol
Identifiers
CAS Registry Number
5281-04-9
SMILES
Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1.[Ca]
InChI Key
PPVZMZJCKBHXOT-UHFFFAOYSA-N
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);
Names and Synonyms
- Lithol Rubine Bk Synonym
- Lake Rubine SK Synonym
- 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(4-methyl-2-sulfophenyl)diazenyl]-, calcium salt (1:1) Synonym
- C.I. Pigment Red 57, calcium salt (1:1) Synonym
- C.I. Pigment Red 57 calcium salt Synonym
- 2-Naphthalenecarboxylic acid, 3-hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-, calcium salt (1:1) Synonym
- 1862 Red Synonym
- Brilliant Carmine 4B Synonym
- Brilliant Carmine 6B Synonym
- Carmine 6B Synonym
- C.I. 15850 calcium salt Synonym
- Dainichi Brilliant Carmine 6B Synonym
- Dainichi Brilliant Carmine 6B Toner Synonym
- Dainichi Brilliant Carmine 6BH Synonym
- Eljon Rubine 4BP Synonym
- Eljon Rubine 5BP Synonym
- Eljon Rubine 6BP Synonym
- Latexol Rubine B Synonym
- Lithol Rubine BCA Synonym
- Lithol Rubine 4BK Synonym
- Lithol Rubine 6BK Synonym
- Lithol Rubine 6RN Synonym
- Lithol Rubine BKN Synonym
- Lithol Rubine Resinated Synonym
- Lithol Rubine Toner BK extra Synonym
- Lithosol Rubine B Synonym
- Lithosol Rubine BLM Synonym
- Mazda Rubine Synonym
- Perca Red FL Synonym
- PV-Rubine B Synonym
- Recolite Rubine 4B Synonym
- Rubine BKL Toner Synonym
- Rubine Pigment BK Synonym
- Rubine Toner 4BA Synonym
- Sanyo Brilliant Carmine 6B Synonym
- Sanyo Lithol Rubine BKN Synonym
- Sico Fast Red P 6R Synonym
- Symuler Brilliant Carmine 6B Synonym
- Versal Fast Red F 6R Synonym
- Vulcafix Rubine B Synonym
- Vulcafor Claret YA Synonym
- Vulcanosine Rubine BK Synonym
- D and C Red No. 7 Synonym
- Brilliant Rubine BKN Synonym
- Fast Rubine 4B Synonym
- Graphtol Rubine BP Synonym
- Irgalite Crimson SC Synonym
- Kromon Super Crimson Synonym
- Lake Rubine R Synonym
- Lake Rubine BC Synonym
- Lithol Rubine R 9 Synonym
- Lithol Rubine R 6142 Synonym
- Lithol Rubine BK 19577 Synonym
- Lithol Rubine BK 27689 Synonym
- Lithol Rubine BKR 01234 Synonym
- Lithol Rubine BND Synonym
- Lithol Rubine 4B Calcium Toner Synonym
- Lithol Rubine F 6R Extra Synonym
- Lithol Rubine Toner Synonym
- Lithol Rubine Toner BKL Synonym
- Lithol Rubine Toner Dark RT 400 Synonym
- Micro-tex Rubanox Red Synonym
- National Red Synonym
- No. 6 Conc. Crimson Synonym
- Oralith Rubine PB Synonym
- Permanent Red 4B Calcium Lake Synonym
- Rubine Lake Synonym
- Sanyo Brilliant Carmine 6BN Synonym
- Segnale Rubine F 6R Synonym
- Segnale Rubine BKC Synonym
- Selkirk Red X 2028 Synonym
- Tertropigment Red PF 6R Synonym
- Tertropigment Rubine LBK lake Synonym
- Versal Rubine BNCAE Synonym
- Versal Rubine PBNCAE Synonym
- Vulcol Rubine BK Synonym
- Pigment Rubine Synonym
- C.I. Pigment Red 57:1 Synonym
- Vintage Red Synonym
- Mini Red Synonym
- Red No. 202 Synonym
- Rubinola Red Synonym
- Isol Ruby BKS Calcium Salt Synonym
- Lithol ruby Synonym
- Carmine Brilliant 6B Synonym
- Isol Bona Rubine BKS 7520 Synonym
- Permanent Rubine L 7B Synonym
- Rubine Lake SK Synonym
- Rubine SK Synonym
- Pigment Lake Rubine SK Synonym
- Lake Ruby SK Synonym
- 3-Hydroxy-4-[(4-methyl-2-sulfophenyl)azo]-2-naphthoic acid calcium salt (1:1) Synonym
- Segnale Rubine BKC 2 Synonym
- Segnale Rubine 6B1 Synonym
- Segnale Rubine 6B2 Synonym
- Segnale Rubine BK Synonym
- Segnale Rubine 6B Synonym
- Japan Red 202 Synonym
- Japan Red No. 202 Synonym
- Seikafast Carmine 6B1480 Synonym
- Pigment Red 57:1 Synonym
- Lithol Rubine BK Synonym
- Permanent Rubine L 6B Synonym
- Isol Bona Rubine 4BK Synonym
- Lithol Rubine D 4565 Synonym
- Symuler Brilliant Carmine 6B236 Synonym
- Sanyo Fast Red F 6R Synonym
- Graphtol Rubine BAS Synonym
- Lufilen Red 45-6000 Synonym
- Sumikaprint Carmine 6B-O Synonym
- Lithol Rubine 4580 Synonym
- Lithol Rubine D 4625 Synonym
- Ariabel Rubicon 300501 Synonym
- Lionol Red 7B-FG4412 Synonym
- Lithol Rubine Synonym
- KET Red 306 Synonym
- KET Red 307 Synonym
- Seikafast Carmine 1480 Synonym
- Lithol Rubine DCC 2734 Synonym
- Sumikaprint Carmine 6BN-OA Synonym
- Seikafast Carmine 6B1478 Synonym
- Lionol Red 6B-FG4297G Synonym
- Lionol Red 6B-FG4213 Synonym
- C.I. 15850:1 Synonym
- Lionol Red 6B-FG4291X Synonym
- Irgalite Red 4BP Synonym
- Seikafast Carmine 6B1483 Synonym
- Sumikaprint Carmine 6BC550 Synonym
- Lionel Red 7B-FG4417X Synonym
- Lionol Red Carmine 6B-FG4200 Synonym
- Lionol Red 6B-FG4200 Synonym
- Lionol Red 6B-FG4219X Synonym
- Irgalite Rubine 4BL Synonym
- Irgalite Rubine L 4BN Synonym
- Lithol Rubine 4B Synonym
- Irgalite Rubine 4BP Synonym
- Irgalite Rubine L 4BD Synonym
- Symuler Brilliant Carmine 6B288E Synonym
- Lionol Red 6B4290G Synonym
- Irgalite Rubine LPBC Synonym
- Irgalite Rubine L 4BF Synonym
- Irgalite Rubine L 4BE Synonym
- Irgalite Rubine L 4BJ Synonym
- Irgalite Rubine L 4BY Synonym
- Irgalite Rubine PBC Synonym
- Pigment Rubine 57.1 Synonym
- Lithol Rubine D 4560 Synonym
- Lithol Rubine D 4577 Synonym
- Sumikaprint Carmine 6BC Synonym
- D & C Red 7 Synonym
- Symuler Brilliant Carmine 6B233S Synonym
- First Carmine 1480 Synonym
- Sumikaprint Carmine 6BC450 Synonym
- Flexiverse RFD 9587 Synonym
- KET Red 337 Synonym
- Seikafast Carmine 6B1476T7 Synonym
- D&C Red No. 7 Synonym
- Lithol Rubine D 4575GN Synonym
- Sunbrite Red 57:1 Synonym
- Symuler Brilliant Carmine 6B229 Synonym
- Irgalite Rubine LB 4N Synonym
- C 19O11 Synonym
- Sunbrite Red 219-0688 Synonym
- Red 7 calcium lake Synonym
- Lithol Rubine D 4576 Synonym
- D and C Red 7 calcium lake Synonym
- Lionol Red 6B4290F Synonym
- D&C Red 7 Ca Lake Synonym
- Isol Bona Magenta 4BY Synonym
- Toner Magenta 6B Synonym
- D&C Red 7 calcium lake Synonym
- Lionol Red FG 4213 Synonym
- ECR 101 Synonym
- LR 1392 Synonym
- FD&C Red No 7 Synonym
- Symuler Brilliant Carmine 6B306 Synonym
- Red No. 7 Synonym
- Brilliant Red 6B Synonym
- Sunbrite Rubine 4BK Synonym
- Seikafast Carmine 1476T7 Synonym
- PR 57:1 Synonym
- LR 1405DC Synonym
- Magruder LR 1405DC Synonym
- Red 7 Synonym
- E 180 Synonym
- E 180 (dye) Synonym
- D&C Red No. 6 Calcium Lake Synonym
- Irgalite Rubine 4BGL Synonym
- Carmine 6B300 Synonym
- Symuler Brilliant Carmine 6B300 Synonym
- Print Rubine 4570 Synonym
- Irgalite Magenta SMB Synonym
- Rubine F 6B05 Synonym
- Rubine BHA Synonym
- Flexiverse Red 57:1 Synonym
- Oppasin Rubine 4630 Synonym
- Unipure Red LC 3079 Synonym
- Permanent Rubine L 4B01 Synonym
- Permanent Rubine L 5B01 Synonym
- Irgalite Rubine 4BV Synonym
- Symular Brilliant Carmine 6B321 Synonym
- Sumikaprint Carmine 6BC457 Synonym
- Lithol Rubine A 6B 3162 Synonym
- 3162 Lithol Rubine A 6B Synonym
- 6B300 Synonym
- K-RCP-R 202SG Synonym
- ECR 102 Synonym
- RCD 9272 Synonym
- RFD 9587 Synonym
- WD-R 7-15 Synonym
- Permanent Rubine LPM Synonym
- Symyler Brilliant Carmine 6B350SD Synonym
- Irgalite Rubine D 4240 Synonym
- Symuler Brilliant Carmine 6B401 Synonym
- Magenta PR 57 Synonym
- Lithol Rubbine Synonym
- Permanent Pigment L 5B01 Synonym
- Carmine 1476T7 Synonym
- Carmine 8B Synonym
- Carmine 4B Synonym
- Lionol Red TT 5718 Synonym
- Lavanya Indica Synonym
- Permanent Rubine Red L 5B01 Synonym
- C 19-7711 Synonym
- Symuler Carmine 6B401 Synonym
- Yanghong YHD Synonym
- MDN 1153 Synonym
- Permanent Rubine P-L 5B01 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 426.46 g/mol | CAS Common Chemistry |
| 426.4630000000002 g/mol | RDKit | |
| 426.463 g/mol | RDKit | |
| 428.472 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithol_Rubine_BK | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC=C(C=C3S(=O)(=O)O)C)=C1O | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=PPVZMZJCKBHXOT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 57:1 | CAS Common Chemistry |
| Lithol Rubine BK | CAS Common Chemistry | |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 136.61999999999998 Ų | RDKit |
| 136.62 Ų | RDKit | |
| LogP | 3.833320000000003 | RDKit |
| 3.8333 | RDKit | |
| Molar Refractivity | 103.49570000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0556 | RDKit |
| 0.06 | chempirical lib | |
| Exact Mass | 426.019848148 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 426.46 g/mol. Edit any field — others recompute live.
