Basic information
- CAS
78252-11-6- Standard SMILES
N#Cc1cc([N+](=O)[O-])ccc1N1CCOCC1- InChIKey
RWMGFZRJYLSGJW-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004122
Names & identifiers
- Preferred name
- 2-Morpholino-5-nitrobenzonitrile
- IUPAC
- 2-morpholin-4-yl-5-nitrobenzonitrile
- English name
- 2-Morpholino-5-nitrobenzonitrile
- Molecular formula
- C11H11N3O3
- Molecular weight
- 233.22
Names & synonyms
2-Morpholino-5-nitrobenzonitrile78252-11-6DTXSID90428638RefChem:264045DTXCID703794722-morpholin-4-yl-5-nitrobenzonitrile2-Morpholino-5-nitrobenzenecarbonitrile2-(morpholin-4-yl)-5-nitrobenzonitrileMFCD07670797N-(2-Cyano-4-nitrophenyl)morpholine2-Morpholin-4-yl-5-nitro-benzonitrileSCHEMBL2848571
Show more names
2-(4-Morpholinyl)-5-nitrobenzonitrileBenzonitrile, 2-(4-morpholinyl)-5-nitro-
5-nitro-2-morpholinobenzonitrile2-morpholino-5-nitro-benzonitrileRWMGFZRJYLSGJW-UHFFFAOYSA-NALBB-004921STK262062AKOS000321248FC66918GA-0706
Database identifiers
- CAS
78252-11-6- PubChem CID
- 7410481
- DTXSID
DTXSID90428638
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 327
Physicochemical properties
- Boiling point
- 438.6 · 438.6±45.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.26 · -1.26±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
南京天海医药科技有限公司025-58351158 13851454004 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
9 records
Compound notes
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