Basic information
- CAS
5825-63-8- Standard SMILES
CS(=O)(=O)N1CCc2ccccc21- InChIKey
UTGYXFSLMMMLAZ-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S
- Average molar mass
- 197.26 g/mol
- Monoisotopic mass
- 197.05104977
Names & identifiers
- Preferred name
- 1-(Methylsulfonyl)indoline
- IUPAC
- 1-methylsulfonyl-2,3-dihydroindole
- English name
- 1-Methanesulfonylindoline
- Molecular formula
- C9H11NO2S
- Molecular weight
- 197.25
Names & synonyms
1-(methylsulfonyl)indoline5825-63-8DTXSID7012746812,3-Dihydro-1-(methylsulfonyl)-1H-indole1H-indole, 2,3-dihydro-1-(methylsulfonyl)-RefChem:428014DTXCID001705231657-377-5InChI=1/C9H11NO2S/c1-13(11,12)10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H1-Methanesulfonylindoline1-methylsulfonyl-2,3-dihydroindoleMFCD01213175
Show more names
(methylsulfonyl)indoline1-(Methanesulfonyl)-2,3-dihydro-1H-indole1-methylsulfonylindolineSCHEMBL551572SCHEMBL2102468SCHEMBL2102471SCHEMBL4807338SCHEMBL29015744
Database identifiers
- CAS
5825-63-8- PubChem CID
- 639972
- DTXSID
DTXSID701274681- EC Number
- 657-377-5
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Melting point
- 69.5 · 69.5-70.5 °C(Solv: hexane (110-54-3))
- Boiling point
- 326.1 · 326.1±35.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- -2.18 · -2.18±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- HS Code
- 2935909099 · 2935909099
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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