CAS 53654-35-6 2-Ethenyl-1H-indole (HCID 10997147)

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Basic information

CAS: 53654-35-6
Standard SMILES: C=Cc1cc2ccccc2[nH]1
InChIKey: LSSICPJTIPBTDD-UHFFFAOYSA-N
Molecular formula: C10H9N
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.07349929

Names & identifiers

Preferred name: 2-Ethenyl-1H-indole
IUPAC: 2-ethenyl-1H-indole

Names & synonyms

2-ethenyl-1H-indole53654-35-6RefChem:471362832-864-71H-Indole, 2-ethenyl-2-vinyl-1H-indolevinylindole2-vinylindoleindolyletheneSCHEMBL895740SCHEMBL3809655SCHEMBL3809659

Show more names

SCHEMBL29396424DTXSID30451162LSSICPJTIPBTDD-UHFFFAOYSA-NDCA65435HS-4092EN300-1845990

Database identifiers

CAS: 53654-35-6
PubChem CID: 10997147
DTXSID: DTXSID30451162
EC Number: 832-864-7
Nikkaji: J417.204C

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 153

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.