Basic information
- CAS
2516-05-4- Standard SMILES
CN(C)c1ccc2nc3ccc(=O)cc-3sc2c1- InChIKey
ALJHHTHBYJROOG-UHFFFAOYSA-N- Molecular formula
- C14H12N2OS
- Average molar mass
- 256.32 g/mol
- Monoisotopic mass
- 256.06703418
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3H-Phenothiazin-3-one, 7-(dimethylamino)-
- IUPAC
- 7-(dimethylamino)phenothiazin-3-one
- English name
- CI 52041
- Molecular formula
- C14H12N2OS
- Molecular weight
- 256.32
Names & synonyms
Methylene violet2516-05-4Dimethylthionoline3H-Phenothiazin-3-one, 7-(dimethylamino)-Y3G6PD8NRBDTXSID9062481NSC-187694RefChem:158186DTXCID1037228219-733-47-(dimethylamino)phenothiazin-3-one7-(Dimethylamino)-3H-phenothiazin-3-one
Show more names
CI 50210Nsc 187694SAFRANIN 6B BLUISHMethylenevioletdyeAlimemazine Impurity 4
Methylene Violet (Bernthsen)CI 52041MethylenviolettMLS003106970Methylene violet (biological stain)EOSIN METHYLENE VIOLET7-(dimethylamino)-3-phenothiazinoneNSC187694
Database identifiers
- CAS
2516-05-4- PubChem CID
- 73024
- DTXSID
DTXSID9062481- ChEMBL
CHEMBL1713097- UNII
- Y3G6PD8NRB
- EC Number
- 219-733-4
- Nikkaji
- J84.876J
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 216 °C · 216 °C
- Boiling point
- 429.6 · 429.6±45.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- storage temp.
- room temp
- solubility
- Insoluble in water, soluble in ethanol
- Colour Index
- 52041 · 52041
- pka
- 5.1 · 5.10±0.20(Predicted)
- form
- Powder
- color
- Dark green
- Water Solubility
- soluble, clear
- λmax
- 580 nm · 580 nm
- Major Application
- diagnostic assay manufacturinghematologyhistology
- Biological Applications
- Detecting microorganisms; medical devices
- InChI
- 1S/C14H12N2OS/c1-16(2)9-3-5-11-13(7-9)18-14-8-10(17)4-6-12(14)15-11/h3-8H,1-2H3
- InChIKey
- ALJHHTHBYJROOG-UHFFFAOYSA-N
- SMILES
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
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- hs_code
- 32041900
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Phenothiazin-3-one, 7-(dimethylamino)-: ACTIVE
Applications
Usesdiagnostic assay manufacturinghematologyhistology
Suppliers28 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
淄博茵泰医药科技有限公司18766946537 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
Related reactions
4 records
Compound notes
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