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Product No: EA3138

Sodium 3,3'-dioxo-[2,2'-biindolinylidene]-5,5'-disulfonate(Indigo Carmine), 85%

Name: Sodium 3,3'-dioxo-[2,2'-biindolinylidene]-5,5'-disulfonate(Indigo Carmine)
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

860-22-0

Molecular Weight

466.35

Formula

C16H8N2Na2O8S2

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About this item

IUPAC name	disodium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate
inchi	InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
inchi key	JFVXEJADITYJHK-UHFFFAOYSA-L
molecular formula	C16H8N2Na2O8S2
synonyms	Indigo carmine 860-22-0 Acid Blue 74 Indigotindisulfonate sodium indigocarmine
Compound Description	Indigo to dark blue powder. Indigo carmine is an organic sodium salt resulting from the formal condensation of indigo carmine with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow. It has a role as a food colouring, a histological dye and a two-colour indicator. It contains an indigo carmine. Indolesulfonic acid used as a dye in renal function testing for the detection of nitrates and chlorates, and in the testing of milk. See also: Indigotindisulfonate Sodium .

Computed Properties

Molecular Weight:	466.4 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	1
Exact Mass:	465.95174613 g/mol
Monoisotopic Mass:	465.95174613 g/mol
Topological Polar Surface Area:	197 Å²
Heavy Atom Count:	30
Formal Charge:	0
Complexity:	877
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	3
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (27.3%) Skin Sens. 1 (30.2%) Aquatic Chronic 2 (27.6%)
precautionary statement codes	P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501
hazard statements	H302 (27.3%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (30.2%): May cause an allergic skin reaction [Warning Sensitization, Skin] H411 (27.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Occupational asthma documented in a worker in the food industry with positive broncho-provocation test.

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Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	disodium;2-(3-hydroxy-5-sulfonato-1H-indol-2-yl)-3-oxoindole-5-sulfonate
inchi	InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17,19H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2
inchi key	JFVXEJADITYJHK-UHFFFAOYSA-L
molecular formula	C16H8N2Na2O8S2
synonyms	Indigo carmine 860-22-0 Acid Blue 74 Indigotindisulfonate sodium indigocarmine
Compound Description	Indigo to dark blue powder. Indigo carmine is an organic sodium salt resulting from the formal condensation of indigo carmine with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow. It has a role as a food colouring, a histological dye and a two-colour indicator. It contains an indigo carmine. Indolesulfonic acid used as a dye in renal function testing for the detection of nitrates and chlorates, and in the testing of milk. See also: Indigotindisulfonate Sodium .

Computed Properties

Molecular Weight:	466.4 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	9
Rotatable Bond Count:	1
Exact Mass:	465.95174613 g/mol
Monoisotopic Mass:	465.95174613 g/mol
Topological Polar Surface Area:	197 Å²
Heavy Atom Count:	30
Formal Charge:	0
Complexity:	877
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	3
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (27.3%) Skin Sens. 1 (30.2%) Aquatic Chronic 2 (27.6%)
precautionary statement codes	P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501
hazard statements	H302 (27.3%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (30.2%): May cause an allergic skin reaction [Warning Sensitization, Skin] H411 (27.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Occupational asthma documented in a worker in the food industry with positive broncho-provocation test.

Product No: EA3138

Sodium 3,3'-dioxo-[2,2'-biindolinylidene]-5,5'-disulfonate(Indigo Carmine), 85%

Product No: EA3138

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: EA3138

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?