-
Name
Benzenesulfonic acid,2-[2-[2-hydroxy-3-[[(4-sulfophenyl)amino]carbonyl]-1-naphthalenyl]diazenyl]-,barium salt (1:1)
- EINECS 262-559-9
- CAS No. 61013-97-6
- Density
- Solubility
- Melting Point
- Formula C23H15BaN3O8S2
- Boiling Point
- Molecular Weight 662.8375
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Benzenesulfonicacid, 2-[[2-hydroxy-3-[[(4-sulfophenyl)amino]carbonyl]-1-naphthalenyl]azo]-,barium salt (1:1) (9CI);C.I. 15892;C.I. Pigment Red 151;PV-Red H 4BO1;Pigment Red 151;
- PSA 205.21000
- LogP 6.25590
Pigment Red 151 Specification
The Pigment Red 151 with its cas register number is 61013-97-6. It also can be called as Benzenesulfonic acid, 2-(2-(2-hydroxy-3-(((4-sulfophenyl)amino)carbonyl)-1-naphthalenyl)diazenyl)-, barium salt (1:1) and the IUPAC Name about this chemical is barium(2+); 2-[(2Z)-2-[2-oxo-3-[(4-sulfonatophenyl)carbamoyl]naphthalen-1-ylidene] hydrazinyl]benzenesulfonate. It belongs to the Organic-metal salt.
Physical properties about Pigment Red 151 are: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 178.48Å2.
You can still convert the following datas into molecular structure:
Canonical SMILES: C1=CC=C2C(=C1)C=C(C(=O)C2=NNC3=CC=CC=C3S(=O)(=O)[O-])C(=O)NC4=CC=C(C=C4)S(=O)(=O)[O-].[Ba+2]
Isomeric SMILES: C1=CC=C\2C(=C1)C=C(C(=O)/C2=N\NC3=CC=CC=C3S(=O)(=O)[O-])C(=O)NC4=CC=C(C=C4)S(=O)(=O)[O-].[Ba+2]
InChI: InChI=1S/C23H17N3O8S2.Ba/c27-22-18(23(28)24-15-9-11-16(12-10-15)35(29,30)31)13-14-5-1-2-6-17(14)21(22)26-25-19-7-3-4-8-20(19)36(32,33)34;/h1-13,25H,(H,24,28)(H,29,30,31)(H,32,33,34);/q;+2/p-2/b26-21-;
InChIKey: UWEQUXGTVVNJFY-AURQPEIRSA-L
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View