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Substance Name: Indigo
RN: 482-89-3
InChIKey: COHYTHOBJLSHDF-BUHFOSPRSA-N

Classification Codes

  • Coloring Agents
  • Mutation Data

Molecular Formula

  • C16-H10-N2-O2

Molecular Weight

  • 262.267
 
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Names and Synonyms

Name of Substance

  • 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-o- ne
  • 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
  • CI 73000
  • Indigo
  • Vat Blue 1

Synonyms

  • (2,2'-Biindoline)-3,3'-dione
  • (delta2,2'(3H,3'H)-Biindole)-3,3'-dione
  • 11669 Blue
  • 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
  • 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
  • 5-24-08-00503 (Beilstein Handbook Reference)
  • AI3-09080
  • Blue No. 201
  • BRN 0088275
  • C.I. 73000
  • C.I. Vat Blue 1
  • CCRIS 4379
  • CI 73000
  • CI Pigment Blue 66
  • CI Vat Blue 1
  • Cystoceva
  • D & C Blue No. 6
  • D and C Blue No. 6
  • D&C Blue No. 6
  • delta(sup 2,2')-Bipseudoindoxyl
  • delta2,2'-Bipseudoindoxyl
  • Diindogen
  • EC 207-586-9
  • EINECS 207-586-9
  • HSDB 4372
  • Indigo
  • Indigo (VAN)
  • Indigo Blue
  • Indigo Ciba
  • Indigo Ciba SL
  • Indigo J
  • Indigo N
  • Indigo NAC
  • Indigo nacco
  • Indigo P
  • Indigo PLN
  • Indigo powder W
  • Indigo Pure BASF
  • Indigo Pure BASF Powder K
  • Indigo synthetic
  • Indigo VS
  • Indigotin
  • Lithosol Deep Blue B
  • Lithosol Deep Blue V
  • Mitsui indigo paste
  • Mitsui Indigo Pure
  • Modr Kypova 1
  • Modr Kypova 1 [Czech]
  • Monolite Fast Navy Blue BV
  • NCI-C61392
  • NSC 8645
  • Pigment Blue 66
  • Synthetic indigo
  • Synthetic indigo TS
  • Vat Blue 1
  • Vulcafix Blue R
  • Vulcafor Blue A
  • Vulcanosine Dark Blue L
  • Vulcol Fast Blue GL
  • Vynamon Blue A

Systematic Names

  • (delta(sup 2,2')-Biindoline)-3,3'-dione
  • (delta2,2'-Biindoline)-3,3'-dione
  • 2-(1,3-Dihydro-3-oxo-2H-indazol-2-ylidene)-1,2-dihydro-3H-indol-3-one
  • 2-(1,3-Dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
  • 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
  • Indigo

Superlist Names

  • (delta2,2'-Biindoline)-3,3'-dione
  • 3H-Indol-3-one, 2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-

Registry Numbers

CAS Registry Number

  • 482-89-3

Other Registry Numbers

  • 11129-41-2
  • 1131642-59-5
  • 12000-74-7
  • 12626-73-2
  • 136797-30-3
  • 2089217-02-5
  • 2089217-38-7
  • 210488-46-3
  • 908005-94-7
  • 93660-98-1

System Generated Number

  • 0000482893

Structure Descriptors

InChI

InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+

InChIKey

COHYTHOBJLSHDF-BUHFOSPRSA-N

Smiles

O=C1\C(=C\2/Nc3ccccc3C2=O)\Nc4ccccc14

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2200mg/kg (2200mg/kg)   "Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher,Peop. Rep. China, 1994Vol. -, Pg. 173, 1994.
mouse LD50 oral > 32gm/kg (32000mg/kg)   "Zhongliu Yanjiu" Cancer Review, Yu, R., et al., eds., Shanghai Science/Technology Publisher,Peop. Rep. China, 1994Vol. -, Pg. 173, 1994.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 390 dec deg C   EXP
log P (octanol-water) 3.72 (none)   EXP
Water Solubility 13.4 mg/L 25 EST
Vapor Pressure 9.00E-13 mm Hg 25 EST
Henry's Law Constant 5.01E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.26E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.