5-(Methanesulfonyl)-2,3-dihydro-1H-indole

HCID 2736136CAS 387350-92-7

Substructure search Find similar structures

Basic information

Standard SMILES: CS(=O)(=O)c1ccc2c(c1)CCN2
InChIKey: OFYOHQMIBTVTKY-UHFFFAOYSA-N
Molecular formula: C9H11NO2S
Average molar mass: 197.26 g/mol
Monoisotopic mass: 197.05104977

Names & identifiers

Preferred name: 5-(Methanesulfonyl)-2,3-dihydro-1H-indole
IUPAC: 5-methylsulfonyl-2,3-dihydro-1H-indole
English name: 1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochloride
Molecular formula: C9H11NO2S
Molecular weight: 197.25

Names & synonyms

387350-92-7DTXSID103711525-(Methanesulfonyl)-2,3-dihydro-1H-indoleRefChem:300534DTXCID303221865-(methylsulfonyl)indoline5-methanesulfonyl-2,3-dihydro-1H-indole5-(Methylsulfonyl)-indoline5-methylsulfonyl-2,3-dihydro-1H-indole1-(Cloromethyl)-4,5-dihydro-1H-imidazole hydrochlorideMFCD013192032,3-dihydro-5-(methylsulphonyl)-(1h)-indole

Show more names

5-(Methylsulphonyl)indoline 95+%1-(CHLOROMETHYL)-4,5-DIHYDRO-1H-IMIDAZOLE HYDROCHLORIDE2,3-Dihydro-5-(methylsulphonyl)-1H-indole, 2,3-Dihydro-1H-indol-5-yl methyl sulphone

5-methanesulfonyl-indoline1H-Indole, 2,3-dihydro-5-(methylsulfonyl)-5-methylsulfonylindoline5-methanesulfonylindolinePeakdale1_0009735-(Methylsulphonyl)indoline5-(methyl-sulfonyl)indolineSCHEMBL514685

Database identifiers

CAS: 387350-92-7
PubChem CID: 2736136
DTXSID: DTXSID10371152
EC Number: 674-426-6

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 280

Physicochemical properties

Melting point: 129 · 129-131°C
Boiling point: 418.8 · 418.8±45.0 °C(Predicted)
Density: 1.261 · 1.261±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
form: solid
pka: 1.33 · 1.33±0.20(Predicted)
color: White
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H290
Precautionary statements: 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2933399990
Signal word: Danger
Symbol(GHS): GHS05
Hazard statements: H314-H290
Precautionary statements: P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405