Reactive Orange 14 supplier | CasNO.12225-86-4

Name
REACTIVE ORANGE 14
EINECS 235-432-0
CAS No. 12225-86-4
Density 2.01g/cm³
Solubility
Melting Point
Formula C₁₉H₁₂Cl₂N₈O₉S₂
Boiling Point
Molecular Weight 631.38
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazole-3-carboxylicacid,4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-(9CI);C.I. Reactive Orange 14 (8CI);Chemictive Yellow 4R;Mikacion Yellow4RS;Procion Yellow M 4R;Procion Yellow M 4RS;Reactive Orange 14;
PSA 270.89000
LogP 4.09030

Reactive Orange 14 Specification

The Reactive Orange 14 with the CAS number 12225-86-4 is also called 1H-Pyrazole-3-carboxylicacid,4-[2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-. The IUPAC name is 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid. Its molecular formula is C₁₉H₁₂Cl₂N₈O₉S₂. The EINECS registry number is 235-432-0.

The properties of the Reactive Orange 14 are: (1)ACD/LogP: -0.97; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -6.72; (4)ACD/LogD (pH 7.4): -6.72; (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: 17; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 229.1 Å²; (13)Index of Refraction: 1.836; (14)Molar Refractivity: 138.21 cm³; (15)Molar Volume: 313 cm³; (16)Polarizability: 54.79×10^-24cm³; (17)Surface Tension: 99.8 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(Cl)n1)Nc4ccc(/N=N/C3C(=N/N(c2ccc(cc2)S(=O)(=O)O)C3=O)\C(=O)O)c(c4)S(=O)(=O)O
(2)InChI: InChI=1/C19H12Cl2N8O9S2/c20-17-23-18(21)25-19(24-17)22-8-1-6-11(12(7-8)40(36,37)38)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25)/b27-26+
(3)InChIKey: IHRFTCGTRALYFG-CYYJNZCTBE

Product Name

REACTIVE ORANGE 14

Reactive Orange 14 Specification

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