Acid Yellow 34 sodium salt CAS NO.6359-97-3

The Acid Yellow 34 sodium salt, with the CAS registry number 6359-97-3, is also known as Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, sodium salt (1:1). It belongs to the product category of Organics. Its EINECS registry number is 228-818-5. This chemical's molecular formula is C₁₆H₁₁Cl₂N₄NaO₄S and molecular weight is 447.977576. Its IUPAC name is called sodium 2,5-dichloro-4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate.

Physical properties of Acid Yellow 34 sodium salt: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -1.66; (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: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4.

Preparation of Acid Yellow 34 sodium salt: this chemical can be prepared by aniline and 1-(2', 5'-dichloro-4'-sulfophenyl)-3-methyl-5-pyrazolone.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+]
(2)InChI: InChI=1S/C16H12Cl2N4O4S.Na/c1-9-15(20-19-10-5-3-2-4-6-10)16(23)22(21-9)13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1
(3)InChIKey: NFPCJYBCHNUCEQ-UHFFFAOYSA-M

The Acid Yellow 34 sodium salt, with the CAS registry number 6359-97-3, is also known as Benzenesulfonic acid, 2,5-dichloro-4-(4,5-dihydro-3-methyl-5-oxo-4-(2-phenyldiazenyl)-1H-pyrazol-1-yl)-, sodium salt (1:1). It belongs to the product category of Organics. Its EINECS registry number is 228-818-5. This chemical's molecular formula is C₁₆H₁₁Cl₂N₄NaO₄S and molecular weight is 447.977576. Its IUPAC name is called sodium 2,5-dichloro-4-(3-methyl-5-oxo-4-phenyldiazenyl-4H-pyrazol-1-yl)benzenesulfonate.

Physical properties of Acid Yellow 34 sodium salt: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.66; (4)ACD/LogD (pH 7.4): -1.66; (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: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4.

Preparation of Acid Yellow 34 sodium salt: this chemical can be prepared by aniline and 1-(2', 5'-dichloro-4'-sulfophenyl)-3-methyl-5-pyrazolone.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC(=C(C=C3Cl)S(=O)(=O)[O-])Cl.[Na+]
(2)InChI: InChI=1S/C16H12Cl2N4O4S.Na/c1-9-15(20-19-10-5-3-2-4-6-10)16(23)22(21-9)13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8,15H,1H3,(H,24,25,26);/q;+1/p-1
(3)InChIKey: NFPCJYBCHNUCEQ-UHFFFAOYSA-M