4-(Morpholine-4-sulfonyl)benzonitrile
Completing data — refresh the page later to see the latest
Basic information
- CAS
10254-89-4- Standard SMILES
N#Cc1ccc(S(=O)(=O)N2CCOCC2)cc1- InChIKey
CRMZHVBRNQNLLE-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3S
- Average molar mass
- 252.29 g/mol
- Monoisotopic mass
- 252.05686324
Names & identifiers
- Preferred name
- 4-(Morpholine-4-sulfonyl)benzonitrile
- IUPAC
- 4-morpholin-4-ylsulfonylbenzonitrile
- English name
- 4-(morpholinosulfonyl)benzonitrile
- Molecular formula
- C11H12N2O3S
- Molecular weight
- 252.29
Names & synonyms
4-(morpholine-4-sulfonyl)benzonitrileRefChem:516448831-986-84-(morpholinosulfonyl)benzonitrile10254-89-44-(morpholin-4-ylsulfonyl)benzonitrile4-morpholin-4-ylsulfonylbenzonitrileMFCD00111187Benzonitrile, 4-(4-morpholinylsulfonyl)-4-morpholinosulfonylbenzonitrileSCHEMBL5338240DTXSID60399700
Show more names
p-(Morpholinosulfonyl)benzonitrile
CRMZHVBRNQNLLE-UHFFFAOYSA-N4-(morpholinosulfonyl)-benzonitrileAKOS000198312NCGC00181892-01DA-16204EN300-26756C14023A1-25798
Database identifiers
- CAS
10254-89-4- PubChem CID
- 4132823
- DTXSID
DTXSID60399700- EC Number
- 831-986-8
Properties
Computed structural propertiesFilling in
- XLogP
- 0.4
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Melting point
- 157 · 157-158 °C
- Boiling point
- 444.9 · 444.9±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- -8.81 · -8.81±0.20(Predicted)
- Comptox DTXSID
- 60399700 · DTXSID60399700
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H312-H315-H332-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
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
- H335-H319-H312-H315-H332-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
2 records
Compound notes
Loading…