10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-
Basic information
- CAS
1249-97-4- Standard SMILES
CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)c1ccccc1- InChIKey
ZKURGBYDCVNWKH-UHFFFAOYSA-N- Molecular formula
- C23H23N3OS
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.15618336
Names & identifiers
- Preferred name
- 10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-
- IUPAC
- [3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone
- English name
- Benzoyl leuco methylene blue
- Molecular formula
- C23H23N3OS
- Molecular weight
- 389.51
Names & synonyms
10-Benzoyl-3,7-bis(dimethylamino)phenothiazine10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-3,7-Bis(dimethylamino)-10-benzoylphenothiazineMethanone, [3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]phenyl-DTXSID3061639Methanone, (3,7-bis(dimethylamino)-10H-phenothiazin-10-yl)phenyl-RefChem:437129DTXCID7033860215-005-5Benzoyl leuco methylene blue1249-97-4Benzoylleucomethyleneblue
Show more names
BLMBai3-17179Benzoyl Leuco Methylene Blue >Benzoyl Leuco Methylene Blue(BLMB)Benzoyl Leuco Methylene Blue, ≥ 95.0%Benzoyl Leuco Methylene Blue (Standard)10-benzoyl-3,7-bis(dimethylamino)-phenothiazin
Benzoylleukomethylene blueMethylene blue leucobenzoylN-Benzoylleucomethylene BlueNSC 11881Methylene blue leucobenzoyMFCD00059153Phenothiazine, 10-benzoyl-3,7-bis(dimethylamino)-MLS000737962
Database identifiers
- CAS
1249-97-4- PubChem CID
- 94975
- DTXSID
DTXSID3061639- ChEMBL
CHEMBL275177- EC Number
- 215-005-5
- Nikkaji
- J52.288K
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Physicochemical properties
- Melting point
- 198 °C · 198°C
- Boiling point
- 589.3 · 589.3±50.0 °C(Predicted)
- Density
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- solubility
- very faint turbidity in hot Toluene
- form
- powder to crystal
- pka
- 5.8 · 5.80±0.20(Predicted)
- color
- White to Light yellow to Green
- EPA Substance Registry System
- 10 H-Phenothiazine-3,7-diamine, · 10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl- (1249-97-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- RTECS
- 5449000 · SN5449000
- TSCA
- TSCA listed
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: 10H-Phenothiazine-3,7-diamine, 10-benzoyl-N,N,N',N'-tetramethyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- rtecs
- SN5449000
- hs_code
- 29349990
- Toxicity
- mouse,LD,intraperitoneal,> 500mg/kg (500mg/kg),"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 47, 1952.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanone, [3,7-bis(dimethylamino)-10H-phenothiazin-10-yl]phenyl-: ACTIVE
Applications
Uses10-Benzoylleucomethylene Blue was used as a color-forming agent in colorless copying paper. It is also recommended for documents to make them safe against forgery.
Preparation methods
Preparation10-Benzoylleucomethylene Blue[1249-97-4] is obtained by reduction of Methylene Blue with hydrosulfite in aqueous alkaline medium, followed by benzoylation and then extraction of the crude product with toluene.
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Compound notes
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