Basic information
- CAS
22582-52-1- Standard SMILES
CC(=O)c1c(C)[nH]c2ccccc12- InChIKey
VFPVFOXCCXHMCF-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- 1-(2-methyl-1H-indol-3-yl)ethan-1-one
- IUPAC
- 1-(2-methyl-1H-indol-3-yl)ethanone
- English name
- 1-(2-methyl-1H-indol-3-yl)ethanone
- Molecular formula
- C11H11NO
- Molecular weight
- 173.21
Names & synonyms
1-(2-methyl-1H-indol-3-yl)ethan-1-oneRefChem:422452855-910-81-(2-methyl-1H-indol-3-yl)ethanone22582-52-13-ACETYL-2-METHYLINDOLEEthanone,1-(2-methyl-1H-indol-3-yl)-Ethanone, 1-(2-methyl-1H-indol-3-yl)-NSC143235F1443-1081SCHEMBL3483291SCHEMBL3483297
Show more names
SCHEMBL5705595DTXSID90301417STK052621ethanone, 1-(2-methyl-3-indolyl)-AKOS000450207NSC-143235NCGC00323495-01DS-007594
Database identifiers
- CAS
22582-52-1- PubChem CID
- 285754
- DTXSID
DTXSID90301417- EC Number
- 855-910-8
- Nikkaji
- J291.451D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 32.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Melting point
- 197 °C · 197 °C
- Boiling point
- 340.4 · 340.4±22.0 °C(Predicted)
- Density
- 1.157 · 1.157±0.06 g/cm3(Predicted)
- pka
- 15.95 · 15.95±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers5 total
宁波振岳医药科技有限公司19817745290 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
上海百韧生物科技有限公司13564638271 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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