Basic information
- CAS
92-33-1- Standard SMILES
CCC(=O)c1ccc2c(c1)Nc1ccccc1S2- InChIKey
XPGPHJNCOZQFAU-UHFFFAOYSA-N- Molecular formula
- C15H13NOS
- Average molar mass
- 255.3 g/mol
- Monoisotopic mass
- 255.07178521
Names & identifiers
- Preferred name
- 2-Propionylphenothiazine
- IUPAC
- 1-(10H-phenothiazin-2-yl)propan-1-one
- English name
- 3-Propionylphenothiazine
- Molecular formula
- C15H13NOS
- Molecular weight
- 255.33
Names & synonyms
1-(10H-Phenothiazin-2-yl)propan-1-one92-33-11-(10H-Phenothiazin-2-yl)-1-propanone2-PROPIONYLPHENOTHIAZINEEINECS 202-148-31-Propanone, 1-(10H-phenothiazin-2-yl)-9Y1069S49SDTXSID50238816RefChem:483244DTXCID00161307202-148-32-Propionyl Phenothiazine
Show more names
1-(10H-phenothiazin-2-yl)propan-1-one(WX145613)
MFCD02929294ethyl (phenothiazin-2-yl) ketone3-PROPIONYLPHENOTHIAZINE1-(10H-Phenothiazin-2-yl)-1-propanone; 1-Phenothiazin-2-yl-1-propanone;1-Phenothiazin-2-yl-1-propanoneOprea1_2807212-propionyl-10H-phenothiazineSCHEMBL17284839
Database identifiers
- CAS
92-33-1- PubChem CID
- 66705
- DTXSID
DTXSID50238816- UNII
- 9Y1069S49S
- EC Number
- 202-148-3
- Nikkaji
- J182.086I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Melting point
- 170 · 170-172°C
- Boiling point
- 462.7 · 462.7±34.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Acetone (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- pka
- -2.46 · -2.46±0.20(Predicted)
- color
- Orange to Dark Brown
- FDA UNII
- 9 Y1069S49S · 9Y1069S49S
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- REACH Registrations
- Active
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 Classification
This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1-(10H-phenothiazin-2-yl)propan-1-one (EC: 202-148-3)
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesA novel Phenothiazine derivative, neuroplegic compound.
UsesA novel Phenothiazine (P318040) derivative, neuroplegic compound.
Suppliers27 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…