Basic information
- Standard SMILES
N#CCCN1c2ccccc2Sc2ccccc21- InChIKey
YYDIIBWHOHWIOM-UHFFFAOYSA-N- Molecular formula
- C15H12N2S
- Average molar mass
- 252.3 g/mol
- Monoisotopic mass
- 252.07211938
Names & identifiers
- Preferred name
- Phenothiazine-10-propionitrile
- IUPAC
- 3-phenothiazin-10-ylpropanenitrile
- English name
- 10H-Phenothiazine-10-propanenitrile
- Molecular formula
- C15H12N2S
- Molecular weight
- 252.33
Names & synonyms
Phenothiazine-10-propionitrile3-(10H-Phenothiazin-10-yl)propanenitrile10-(2-Cyanoethyl)phenothiazine10H-Phenothiazine-10-propanenitrile10-Beta-cyanoethylphenothiazineDTXSID30281406RefChem:369571DTXCID40232560InChI=1/C15H12N2S/c16-10-5-11-17-12-6-1-3-8-14(12)18-15-9-4-2-7-13(15)17/h1-4,6-9H,5,11HYYDIIBWHOHWIOM-UHFFFAOYSA-N1698-80-23-phenothiazin-10-ylpropanenitrile
Show more names
NSC 21556NSC 1390523-(Phenothiazin-10-yl)propanenitrile
MFCD001589143-Phenothiazin-10-yl-propionitrile10H-Phenothiazine-10-propanenitrile; 10-(2-Cyanoethyl)phenothiazine; 3-(Phenothiazin-10-yl)propanenitrile; NSC 139052; NSC 21556;NSC21556Enamine_004976Oprea1_257845Oprea1_596148SCHEMBL8368777
Database identifiers
- CAS
1698-80-2- PubChem CID
- 228554
- DTXSID
DTXSID30281406- EC Number
- 180-912-4
- Nikkaji
- J26.398B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 448.8 · 448.8±34.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly, Methanol (Slightly)
- form
- Solid
- pka
- -0.33 · -0.33±0.20(Predicted)
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses10H-Phenothiazine-10-propanenitrile is a reagent used in the addition of Phenothiazine (P318040).
Suppliers8 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [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]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
山东碳氢生物化工有限公司15508610597 15508610597 · [email protected]
Related reactions
2 records
Linked notes
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