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| Name |
Mordant Black 1 |
EINECS | 222-807-9 |
| CAS No. | 3618-58-4 | Density | 1.64g/cm3 |
| PSA | 176.58000 | LogP | 6.23590 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H12N3NaO7S | Boiling Point | N/A |
| Molecular Weight | 461.38 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
C.I. Mordant Black 1 (7CI,8CI);Acid Chrome Black N;Apochrome Black WB;Basolan Chrome Black VDC;C.I. 15710;Chromazine Black A;Chrome Black S;Chrome Fast Black AS;Chrome Printing Black M;Chromogen Black VA;Cibaphasol Chrome Black A;Diacromo Black AS;Diadem Chrome Black PA;Diamond Black EAN;FenakromBlack EAN;Magracrom Black AN;Mitsui Chrome Black AC;Mordant Black 1;Omega Chrome Black P;Potting Chrome Black B-CP;Shikiso Chrome Black A;Solochrome Black AS;Solochrome Black VN;Superchrome Black BN; |
Mordant Black 1 Specification
The Mordant Black 1 with cas registry number of 3618-58-4, its other registry number are 12237-68-2 and 40858-61-5. Its systematic name is (4Z)-4-[(2-hydroxynaphthalen-1-yl)hydrazono]-7-nitro-3-oxo-3,4-dihydronaphthalene-1-sulfonic acid. Its colour index is 15710. Its raw materials is 2-Naphthol.
Physical properties about this chemical are: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.22; (8)ACD/KOC (pH 7.4): 1.08; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 139.47 Å2; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 108.6 cm3; (15)Molar Volume: 267.1 cm3; (16)Polarizability: 43.05×10-24cm3; (17)Surface Tension: 76.6 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES:[O-][N+](=O)c4ccc\3c(\C(=C/C(=O)C/3=N/Nc2c1ccccc1ccc2O)S(=O)(=O)O)c4;
(2)InChI:InChI=1/C20H13N3O7S/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30/h1-10,21,24H,(H,28,29,30)/b22-20-;
(3)InChIKey:RJQAEIYLEJDFOK-XDOYNYLZBZ;
(4)Std. InChI:InChI=1S/C20H13N3O7S/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30/h1-10,21,24H,(H,28,29,30)/b22-20-;
(5)Std. InChIKey:RJQAEIYLEJDFOK-XDOYNYLZSA-N
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