Basic information
- CAS
7152-42-3- Standard SMILES
c1ccc(N2c3ccccc3Sc3ccccc32)cc1- InChIKey
WSEFYHOJDVVORU-UHFFFAOYSA-N- Molecular formula
- C18H13NS
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.07687059
Names & identifiers
- Preferred name
- 10-Phenylphenothiazine
- IUPAC
- 10-phenylphenothiazine
- English name
- 10-Phenyl-10H-phenothiazine
- Molecular formula
- C18H13NS
- Molecular weight
- 275.37
Names & synonyms
10-Phenylphenothiazine7152-42-310H-Phenothiazine, 10-phenyl-n-phenylphenothiazineBII1EYP5EWNSC-23181RefChem:105724610-phenyl-10h-phenothiazinePhenothiazine, 10-phenyl-10H-Phenothiazine, 10-phenyl- (9CI)MFCD00156238UNII-BII1EYP5EW
Show more names
10-phenyl-10H-phenothiazin10-phenyl-10H-phenethiazine10-Phenylphenothiazine dication
BRN 0017325NSC 23181SCHEMBL342426DTXSID702217604-27-00-01220 (Beilstein Handbook Reference)PHENYL-10H-PHENOTHIAZINE, 10-DS-19168CS-0105611
Database identifiers
- CAS
7152-42-3- PubChem CID
- 95203
- DTXSID
DTXSID70221760- UNII
- BII1EYP5EW
- Nikkaji
- J50.190E
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 94 °C · 94 °C
- Boiling point
- 411.2 · 411.2±15.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- soluble in Acetone
- form
- powder to crystal
- pka
- -3.48 · -3.48±0.20(Predicted)
- color
- White to Orange to Green
- InChI
- InChI=1S/C18H13NS/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-13H
- InChIKey
- WSEFYHOJDVVORU-UHFFFAOYSA-N
- SMILES
- C1=C2C(SC3=C(N2C2=CC=CC=C2)C=CC=C3)=CC=C1
- FDA UNII
- 1 EYP5EW · BII1EYP5EW
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
- wgk
- WGK 3
- hs_code
- 2934.30.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAn organic photo-catalyst used in synthesis of small molecules as well as polymerization reactions.
Upstream & downstream products
Upstream raw materials
Suppliers68 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
1 records
Compound notes
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