2,3-Dihydro-1h-inden-2-yl methanesulfonate

HCID 255221

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 777-72-0
Standard SMILES: CS(=O)(=O)OC1Cc2ccccc2C1
InChIKey: CFIDFVNAHVRFGT-UHFFFAOYSA-N
Molecular formula: C10H12O3S
Average molar mass: 212.27 g/mol
Monoisotopic mass: 212.05071541

Names & identifiers

Preferred name: 2,3-Dihydro-1h-inden-2-yl methanesulfonate
IUPAC: 2,3-dihydro-1H-inden-2-yl methanesulfonate
English name: 1H-inden-2-ol, 2,3-dihydro-, methanesulfonate
Molecular formula: C10H12O3S
Molecular weight: 212.27

Names & synonyms

2,3-dihydro-1h-inden-2-yl methanesulfonate777-72-0MFCD151432051H-Inden-2-ol, 2,3-dihydro-, methanesulfonateNSC805652-methylsulphonyloxyindaneindan-2-yl methanesulfonatemethansulfonic acid 2,3-dihydro-1H-inden-2-yl esterSCHEMBL1415538DTXSID90292154CFIDFVNAHVRFGT-UHFFFAOYSA-NALBB-013391

Show more names

1H-Inden-2-ol, 2,3-dihydro-, 2-methanesulfonate

NSC-80565Methanesulfonic acid indan-2-yl esterAKOS005174058methanesulfonic acid indane-2-yl esterLS-041622,3-dihydro-1h-inden-2-ylmethanesulfonateDB-127385CS-0208053

Database identifiers

CAS: 777-72-0
PubChem CID: 255221
DTXSID: DTXSID90292154

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 277

Physicochemical properties

Melting point: 74 · 74-75 °C
Boiling point: 384.1 · 384.1±32.0 °C(Predicted)
Density: 1.29 · 1.29±0.1 g/cm3(Predicted)
Signal word: Warning
Hazard statements: 315 · H315-H302+H332-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Warning
hazard_class: IRRITANT
Hazard statements: H315-H302+H332-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362