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Azocarmine B C.I. 50090

CAT: 0286-A37095-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-A37095-01Size:25 g
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CAS Number
25360-72-9
Synonyms
Acid Red 103; Rosinduline 2B; Benzo (.alpha.) phenazinium,5-[ (2,4-disulfophenyl) amino]-7-phenylsulfo-, hydroxide, innersalt, disodiumsalt; hydrogen 5-[ (2,4-disulphonatophenyl) amino]-7-phenylsulphonatobenzo[a]phenazinium, disodium salt
Pictogram
07 - Irritant
UDF Signal Word
Warning
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
ITAR USML
N
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Disodium 4-((7-phenyl-3-sulfonatobenzo(a)phenazin-7-ium-5-yl)amino)benzene-1,3-disulfonate

Azocarmine B is an organic sodium salt that is the disodium salt of 4-[(7-phenyl-3-sulfobenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonic acid. It has a role as a histological dye. It contains an azocarmine B(2-).

CAS Number25360-72-9
PubChem CID6099365
IUPAC Namedisodium;4-[(7-phenyl-3-sulfonatobenzo[a]phenazin-7-ium-5-yl)amino]benzene-1,3-disulfonate
Molecular FormulaC28H17N3Na2O9S3
Molecular Weight681.6
Topological Polar Surface Area226
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count45
Formal Charge0
Complexity1280
SMILES
C1=CC=C(C=C1)[N+]2=C3C=C(C4=C(C3=NC5=CC=CC=C52)C=CC(=C4)S(=O)(=O)[O-])NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C28H19N3O9S3.2Na/c32-41(33,34)18-10-12-20-21(14-18)24(29-23-13-11-19(42(35,36)37)15-27(23)43(38,39)40)16-26-28(20)30-22-8-4-5-9-25(22)31(26)17-6-2-1-3-7-17;;/h1-16H,(H3,32,33,34,35,36,37,38,39,40);;/q;2*+1/p-2
InChIKey
QZKHGYGBYOUFGK-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Disodium 4-((7-phenyl-3-sulfonatobenzo(a)phenazin-7-ium-5-yl)amino)benzene-1,3-disulfonate
CAS: 25360-72-9
CID: 6099365
Formula: C28H17N3Na2O9S3
MW: 681.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight681.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass680.99223121
Monoisotopic Mass680.99223121
Topological Polar Surface Area226 Ų
Heavy Atom Count45
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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