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6417-36-3

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Basic Information
CAS No.: 6417-36-3
Name: Mordant Red 21
Molecular Structure:
Molecular Structure of 6417-36-3 (Mordant Red 21)
Formula: C36H28 N4 O9 S2 . 2 Na
Molecular Weight: 768.72
Synonyms: 1,7-Naphthalenedisulfonicacid,4-(benzoylamino)-6-[[4-[(ethyl-1-naphthalenylamino)carbonyl]phenyl]azo]-5-hydroxy-,disodium salt (9CI); C.I. Acid Red 133 (7CI); C.I. Acid Red 133, disodium salt(8CI); Acid Chrome Red BA-CF; Acid Red 133; C.I. 17995; C.I. Mordant Red 21;Diamond Chrome Red B; Fenafor Red XB; Fenakrom Red XB; Monochrome Red B;Mordant Red 21; Supranol Brilliant Red B; Supranol Brilliant Red BA-CF
EINECS: 229-136-0
PSA: 225.52000
LogP: 9.07580
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Chemistry

Molecular Structure of Mordant Red 21 (CAS No.6417-36-3):

Molecular Formula: C36H26N4Na2O9S2 
Molecular Weight: 768.722580
CAS No: 6417-36-3
IUPAC Name: Disodium (6Z)-4-benzamido-6-[[4-[ethyl(naphthalen-1-yl)carbamoyl]phenyl]hydrazinylidene]-5-oxonaphthalene-1,7-disulfonate 
H bond acceptors: 13
H bond donors: 4
Freely Rotating Bonds: 10
Polar Surface Area: 225.52 Å2
InChI: InChI=1/C36H26N4O9S2.2Na/c1-2-40(29-14-8-12-22-9-6-7-13-26(22)29)36(43)24-15-17-25(18-16-24)38-39-33-31(51(47,48)49)21-27-30(50(44,45)46)20-19-28(32(27)34(33)41)37-35(42)23-10-4-3-5-11-23;;/h3-21,41H,2H2,1H3,(H,37,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
InChIKey: DDIPYLMBBZZKGQ-NUQVWONBAH
Std. InChI: InChI=1S/C36H26N4O9S2.2Na/c1-2-40(29-14-8-12-22-9-6-7-13-26(22)29)36(43)24-15-17-25(18-16-24)38-39-33-31(51(47,48)49)21-27-30(50(44,45)46)20-19-28(32(27)34(33)41)37-35(42)23-10-4-3-5-11-23;;/h3-21,41H,2H2,1H3,(H,37,42)(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
Std. InChIKey: DDIPYLMBBZZKGQ-UHFFFAOYSA-L
Product Categories: Steroids

Specification

  Mordant Red 21 (CAS No.6417-36-3), its synonyms are Disodium 4-(benzoylamino)-6-[[4-[(ethyl-1-naphthylamino)carbonyl]phenyl]azo]-5-hydroxynaphthalene-1,7-disulphonate ; Acid Red 133;Acid mordant Red 21 ; Acid red 133 (C.I. 17995) ; 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-6-[[4-[( ethyl-1-naphthalenylamino)carbonyl]phenyl]azo]-5-hydroxy -, disodium salt ; Disodium 4-(benzoylamino)-6-[[4-[(ethyl-1-naphthylamino)carbonyl]phenyl]azo]-5-hydroxynaphthalene-1,7-disulphonate ; 4-(Benzoylamino)-6-[[4-[(ethyl-1-naphtylamino)carbonyl]phenyl]azo]-5-hydroxy-1,7-naphthalenedisulfonic acid disodium salt