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Acid Rubin C.I. 42685

CAT: 0286-A10840-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0286-A10840-01Size:25 g
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CAS Number
3244-88-0
Synonyms
Fuschin Acid sodium salt certified; Acid Violet 19
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00013286
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.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P271 Use only outdoors or in a well-ventilated area; 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; P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Chemical Information

Acid violet 19

See also: Acid Fuchsin (annotation moved to); acid fuchsin, sodium salt (annotation moved to); Acid fuchsine FB (annotation moved to) ... View More ...

CAS Number3244-88-0
PubChem CID16219374
IUPAC Namedisodium;(3E)-3-[(4-amino-3-sulfonatophenyl)-(4-amino-3-sulfophenyl)methylidene]-6-imino-5-methylcyclohexa-1,4-diene-1-sulfonate
Molecular FormulaC20H17N3Na2O9S3
Molecular Weight585.5
Topological Polar Surface Area270
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity1270
SMILES
CC1=C/C(=C(\C2=CC(=C(C=C2)N)S(=O)(=O)O)/C3=CC(=C(C=C3)N)S(=O)(=O)[O-])/C=C(C1=N)S(=O)(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C20H19N3O9S3.2Na/c1-10-6-13(9-18(20(10)23)35(30,31)32)19(11-2-4-14(21)16(7-11)33(24,25)26)12-3-5-15(22)17(8-12)34(27,28)29;;/h2-9,23H,21-22H2,1H3,(H,24,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2
InChIKey
WZRZTHMJPHPAMU-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Acid violet 19
CAS: 3244-88-0
CID: 16219374
Formula: C20H17N3Na2O9S3
MW: 585.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count3
Exact Mass584.99223121
Monoisotopic Mass584.99223121
Topological Polar Surface Area270 Ų
Heavy Atom Count37
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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