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| CAS No.: | 17852-99-2 |
|---|---|
| Name: | Pigment Red 52:1 |
| Molecular Structure: | |
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| Formula: | C18H11CaClN2O6S |
| Molecular Weight: | 458.89 |
| Synonyms: | 2-Naphthalenecarboxylicacid, 4-[(4-chloro-5-methyl-2-sulfophenyl)azo]-3-hydroxy-, calcium salt (1:1)(9CI);C.I. Pigment Red 52, calcium salt (1:1) (8CI);4-[(4-Chloro-3-methyl-6-sulfophenyl)azo]-3-hydroxy-2-naphthoic acid calciumsalt (1:1);C.I. 15860:1;C.I. Pigment Red 52:1;Macatawa Red; |
| EINECS: | 241-808-5 |
| PSA: | 136.83000 |
| LogP: | 5.52860 |
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Chemistry
Product Name: 2-Naphthalenecarboxylicacid, 4-[2-(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, calcium salt(1:1) (CAS NO.17852-99-2)
Molecular Formula: C18H11CaClN2O6S
Molecular Weight: 458.88574g/mol
Mol File: 17852-99-2.mol
EINECS: 241-808-5
H-Bond Donor: 1
H-Bond Acceptor: 8
Structure Descriptors of 2-Naphthalenecarboxylicacid, 4-[2-(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, calcium salt(1:1) (CAS NO.17852-99-2):
IUPAC Name: calcium(4E)-4-[(4-chloro-5-methyl-2-sulfonatophenyl)hydrazinylidene]-3-oxonaphthalene-2-carboxylate
Canonical SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])NN=C2C3=CC=CC=C3C=C(C2=O)C(=O)[O-].[Ca+2]
Isomeric SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=C(C2=O)C(=O)[O-].[Ca+2]
InChI: InChI=1S/C18H13ClN2O6S.Ca/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;/h2-8,20H,1H3,(H,23,24)(H,25,26,27);/q;+2/p-2/b21-16+;
InChIKey: CEZYFNCWLUBLCR-JEBHESKQSA-L
Product Categories: Organics
Specification
2-Naphthalenecarboxylicacid, 4-[2-(4-chloro-5-methyl-2-sulfophenyl)diazenyl]-3-hydroxy-, calcium salt(1:1) , its CAS NO. is 17852-99-2, the synonyms are C.I. Pigment Red 52, calcium salt (1:1) ; Calcium 4-((4-chloro-5-methyl-2-sulphonatophenyl)azo)-3-hydroxy-2-naphthoate .