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Evans Blue C.I. No. 23860

CAT: 0286-E16930-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-E16930-01Size:10 g
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CAS Number
314-13-6
Synonyms
Direct Blue 53; 3, '3-Ditolyl-4,4'-bis[7-azo-1-amino-8-naphthol-2,4- (disodium) sulfonate]; 6,6'-[ (3,3'-Dimethyl[1,1'-biphenyl]-4,4'-diyl) bis (azo) ]bis (4-amino-5-hydroxy-1,3-naphthalenedisulfonic acid disodium) ; 1,3-Naphthalenedisulfonic acid, 6,6- (3,3-dimethyl1,1-biphenyl-4,4-diyl) bis (azo) bis4-amino-5-hydroxy-, tetrasodium salt
Pictogram
07 - Irritant; 08 - Health Hazard
UDF Signal Word
Warning
MDL Number
MFCD00004021
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; H335 May cause respiratory irritation; H350 May cause cancer; H370 Causes damage to organs.
DOT Name
Not D.O.T.-Regulated
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; 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; P308+P313 IF exposed or concerned: Get medical advice/attention; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

C.I. Direct Blue 53

Evans blue is an organic sodium salt that is the tetrasodium salt of 6,6'-{(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[diazene-2,1-diyl]}bis(4-amino-5-hydroxynaphthalene-1,3-disulfonate). It is sometimes used as a counterstain, especially in fluorescent methods to suppress background autofluorescence. It has a role as a sodium channel blocker, a teratogenic agent, a fluorochrome and a histological dye. It contains an Evans blue(4-).

CAS Number314-13-6
PubChem CID9409
IUPAC Nametetrasodium;4-amino-6-[[4-[4-[(8-amino-1-hydroxy-5,7-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-1,3-disulfonate
Molecular FormulaC34H24N6Na4O14S4
Molecular Weight960.8
Topological Polar Surface Area404
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count5
Heavy Atom Count62
Formal Charge0
Complexity1790
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)[O-])S(=O)(=O)[O-])O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C34H28N6O14S4.4Na/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChIKey
ATNOAWAQFYGAOY-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of C.I. Direct Blue 53
CAS: 314-13-6
CID: 9409
Formula: C34H24N6Na4O14S4
MW: 960.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight960.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count20
Rotatable Bond Count5
Exact Mass959.9824113
Monoisotopic Mass959.9824113
Topological Polar Surface Area404 Ų
Heavy Atom Count62
Formal Charge0
Complexity1790
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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