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Pigment Red 48:2
CAS: 7023-61-2 | C18H13CaClN2O6S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7023-61-2
Molecular Formula:
C18H13CaClN2O6S
Molecular Mass:
460.91 g/mol
Names and Synonyms:
Pigment Red 48:2
2-Naphthalenecarboxylic acid, 4-[2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, calcium salt (1:1)
C.I. Pigment Red 48, calcium salt (1:1)
2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, calcium salt (1:1)
2-Naphthoic acid, 4-(5-chloro-2-sulfo-p-tolylazo)-3-hydroxy-, calcium salt
Eljon Rubine 2BS
Permanent Red 2BS
Ponolith Red Y
Radiant Red Lake
Rubine Toner 2BA
Rubine Toner 2BOA
Sanyo Tinting Red N
Watchung Red B
Isol Bona Red N 5R
Rubine Toner 2BS
Sico Red WRC
C.I. Pigment Red 48:2
4-[(3-Chloro-4-methyl-6-sulfophenyl)azo]-3-hydroxy-2-naphthoic acid calcium salt (1:1)
Resino Red BX
Segnale Red 2B1
Segnale Red RS
Monastral Red RT 139
Watchung Red B-RT 761D
Isol Bona Red 2BCT
Pigment Red 48:2
Calcium 2B Rubine X 2430
Symuler Red 3013
Lionol Red DWG
Fire Red RF 1120
Seikafast Red 1547
Watchung Red B-RT 455D
Lithol Scarlet K 4460
Symuler Red 3014
Finess Red F 2B
C.I. 15865:2
Seikafast Red 1548
Irgalite Red C 2B
First Red 1547
Microlith Red 2C-A
Watchung Red RT 698D
Calcium Red 2B
Microlith Red 2G-A
Red 2G-A
Panax Red 2RM
Irgalite Rubine 2BP
Perma Red 562
PR 48:2
Irgalite Red 2BP
Microsol Red C 2B Agro
Lightfast Brilliant Red BBC 3120
Fuji Red 5R758
Identifiers:
SMILES:
Cc1cc(S(=O)(=O)O)c(N=Nc2c(O)c(C(=O)O)cc3ccccc23)cc1Cl.[Ca]
InChI:
InChI=1S/C18H13ClN2O6S.Ca/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 460.91 g/mol | CAS Common Chemistry |
| 460.908 g/mol | RDKit | |
| 459.980875796 g/mol | RDKit | |
| Canonical SMILES | [Ca].O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC(Cl)=C(C=C3S(=O)(=O)O)C)=C1O | CAS Common Chemistry |
| InChI | InChI=1S/C18H13ClN2O6S.Ca/c1-9-6-15(28(25,26)27)14(8-13(9)19)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,22H,1H3,(H,23,24)(H,25,26,27); | CAS Common Chemistry |
| InChI Key | InChIKey=PHFMCOUQHQMESB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 48:2 | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 136.62 Ų | RDKit |
| LogP | 4.486720000000002 | RDKit |
| Molar Refractivity | 108.50570000000003 | RDKit |
