1-(Phenylsulfonyl)aziridine
Basic information
- CAS
10302-15-5- Standard SMILES
O=S(=O)(c1ccccc1)N1CC1- InChIKey
AXWKGBIMVDATLR-UHFFFAOYSA-N- Molecular formula
- C8H9NO2S
- Average molar mass
- 183.23 g/mol
- Monoisotopic mass
- 183.0353997
Names & identifiers
- Preferred name
- 1-(Phenylsulfonyl)aziridine
- IUPAC
- 1-(benzenesulfonyl)aziridine
- English name
- 1-(phenylsulphonyl)aziridine
- Molecular formula
- C8H9NO2S
- Molecular weight
- 183.23
Names & synonyms
10302-15-51-(PHENYLSULFONYL)AZIRIDINEAziridine, 1-(phenylsulfonyl)-N-BenzenesulfonylaziridineHSDB 6153EINECS 233-676-2AI3-50705DTXSID8065030NBenzenesulfonylaziridineRefChem:74770Aziridine, 1(phenylsulfonyl)DTXCID6032778
Show more names
1-(benzenesulfonyl)aziridine1-(Phenylsulphonyl)aziridineAziridine,1-(phenylsulfonyl)-phenylsulfonylaziridineZTR68NHJ9TSCHEMBL735657SCHEMBL3830424SCHEMBL3830427
Database identifiers
- CAS
10302-15-5- PubChem CID
- 25141
- DTXSID
DTXSID8065030- UNII
- ZTR68NHJ9T
- EC Number
- 233-676-2
- Nikkaji
- J236.755F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physicochemical properties
- Boiling point
- 311.8 · 311.8±25.0 °C(Predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Predicted)
- pka
- -6.68 · -6.68±0.20(Predicted)
- EPA Substance Registry System
- 1 · Aziridine, 1-(phenylsulfonyl)- (10302-15-5)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H335-H315-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
- Hazardous Substances Data
- 10302 · 10302-15-5(Hazardous Substances Data)
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H335-H315-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- Hazardous Substances Data
- 10302-15-5(Hazardous Substances Data)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information
Aziridine, 1-(phenylsulfonyl)-: INACTIVE
1-(PHENYLSULFONYL)AZIRIDINE SHOWED WEAK STERILIZING ACTIVITY WHEN TESTED AGAINST THE BOLL WEEVIL (ANTHONOMUS GRANDIS).
Suppliers
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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