CI 42755

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Catalog Number
ACM28631665
Product Name
CI 42755
Structure
Structure
CAS
28631-66-5
Category
Acid Dyes
Description
Water blue is an organic sodium salt resulting from the formal condensation of NSC 56820 with 2 mol eq. of sodium hydroxide.
Synonyms
MARINE BLUE, NSC8677, ANILINE BLUE, WATER SOLUBLE, CID407402, ZINC04261931, 28631-66-5
IUPAC Name
4-[[4-(anilino)phenyl]-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline
Molecular Weight
737.73
Molecular Formula
C32H25N3O9S3.2Na
Canonical SMILES
CC1=CC(=CC(=C1N)S(=O)(=O)[O-])C(=C2C=CC(=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C32H27N3O9S3.2Na/c1-20-18-23(19-30(32(20)33)47(42,43)44)31(21-2-6-24(7-3-21)34-26-10-14-28(15-11-26)45(36,37)38)22-4-8-25(9-5-22)35-27-12-16-29(17-13-27)46(39,40)41;;/h2-19,34H,33H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
InChI Key
LBLFVSANTXZPEX-UHFFFAOYSA-N
Appearance
Dark reddish-brown or blue crystals
Application
It is used as a histological stain for collagen and in Mallory's method for connective tissue. It has a role as a histological dye.
Storage
Store at +15°C to +30°C.
EC Number
249-113-9
Exact Mass
737.05481
Hazard Codes
Xi: Irritant;
H-Bond Acceptor
3
H-Bond Donor
2
HTS Code
32041200
MDL Number
MFCD00036130
PSA
244.32
XLogP3
8.9729
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