Benzo(a)naphth(2,3-h)acridine-5,8,13(14H)-trione
Basic information
- CAS
3737-76-6- Standard SMILES
O=C1c2ccccc2C(=O)c2c1ccc1c(=O)c3c(ccc4ccccc43)[nH]c21- InChIKey
UYDYTUHDRBBLFB-UHFFFAOYSA-N- Molecular formula
- C25H13NO3
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.08954328
Names & identifiers
- Preferred name
- Benzo(a)naphth(2,3-h)acridine-5,8,13(14H)-trione
- IUPAC
- 26-azahexacyclo[12.12.0.02,11.04,9.016,25.017,22]hexacosa-1(14),2(11),4,6,8,12,16(25),17,19,21,23-undecaene-3,10,15-trione
- English name
- benzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione
- Molecular formula
- C25H13NO3
- Molecular weight
- 375.37562
Names & synonyms
benzo[a]naphth[2,3-h]acridine-5,8,13(14h)-trione3737-76-6EINECS 223-116-5DTXSID0063155Benzo(a)naphth(2,3-h)acridine-5,8,13(14H)-trioneRefChem:118156DTXCID8039320223-116-5SCHEMBL14434102UYDYTUHDRBBLFB-UHFFFAOYSA-NNS000211415-Hydroxybenzo[a]naphtho[2,3-h]acridine-8,13-dione
Show more names
C.I.68000Vat Red 35C.I.VATRED35Indanthren Red RKVat red 35 (C.I. 68000)C.I.Vat Red 35:C.I.68000
Database identifiers
- CAS
3737-76-6- PubChem CID
- 77329
- DTXSID
DTXSID0063155- EC Number
- 223-116-5
- Nikkaji
- J68.200D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 732
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione (3737-76-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzo[a]naphth[2,3-h]acridine-5,8,13(14H)-trione: INACTIVE
Preparation methods
Preparation(a) 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid in the presence of copper with Naphthalen-2-aminecondensation, cyclization, (b) 1-(2-naphthyl amino)-anthraquinone-2-carbonyl chloridein 1,2,4 – Trichlorobenzene in heating; (C) 1-Nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid and Naphthalen-2-amineand arsenic trichloride in 1, 2 – Dichlorobenzene in heating; (d) 2-Aminonaphthalene-1-sulfonic acid and 1-Chloro-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acidcondensation, heating (200 ~ 210 ℃) cyclization, and at the same time, remove sulfonic group.
Upstream & downstream products
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