CAS 304876-06-0 5-Bromo-3,3-diethyl-1,3-dihydro-2H-indol-2-one (HCID 21986250)

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Basic information

CAS: 304876-06-0
Standard SMILES: CCC1(CC)C(=O)Nc2ccc(Br)cc21
InChIKey: QUXWTPUEQGPBEQ-UHFFFAOYSA-N
Molecular formula: C12H14BrNO
Average molar mass: 268.15 g/mol
Monoisotopic mass: 267.02587617

Names & identifiers

Preferred name: 5-Bromo-3,3-diethyl-1,3-dihydro-2H-indol-2-one
IUPAC: 5-bromo-3,3-diethyl-1H-indol-2-one
English name: 5-bromo-3,3-diethylindolin-2-one
Molecular formula: C12H14BrNO
Molecular weight: 268.15

Names & synonyms

304876-06-05-bromo-3,3-diethyl-2,3-dihydro-1H-indol-2-one5-Bromo-3,3-diethyl-1,3-dihydro-2H-indol-2-oneDTXSID30621207RefChem:533385DTXCID40571961838-593-05-bromo-3,3-diethylindolin-2-one5-BROMO-3,3-DIETHYL-1H-INDOL-2-ONE2H-Indol-2-one, 5-bromo-3,3-diethyl-1,3-dihydro-MFCD131922645-bromo-3,3-diethyl-1,3-dihydro-indol-2-one

Show more names

SCHEMBL1696201QUXWTPUEQGPBEQ-UHFFFAOYSA-NEMA876065-bromo-3,3-diethyl-indolin-2-oneAC8681AKOS026726853DA-37789SY188356

Database identifiers

CAS: 304876-06-0
PubChem CID: 21986250
DTXSID: DTXSID30621207
EC Number: 838-593-0

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 262

Physicochemical properties

Boiling point: 371.8 · 371.8±42.0 °C(Predicted)
Density: 1.335 · 1.335±0.06 g/cm3(Predicted)
pka: 13.36 · 13.36±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P