CAS 320734-35-8 7-bromo-2,3-dihydro-1H-indol-2-one (HCID 2773291)

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Basic information

CAS: 320734-35-8
Standard SMILES: O=C1Cc2cccc(Br)c2N1
InChIKey: WSUWXWBRIBGIQT-UHFFFAOYSA-N
Molecular formula: C8H6BrNO
Average molar mass: 212.04 g/mol
Monoisotopic mass: 210.96327591

Names & identifiers

Preferred name: 7-bromo-2,3-dihydro-1H-indol-2-one
IUPAC: 7-bromo-1,3-dihydroindol-2-one
English name: 7-bromoindolin-2-one
Molecular formula: C8H6BrNO
Molecular weight: 212.04

Names & synonyms

7-BROMO-2,3-DIHYDRO-1H-INDOL-2-ONERefChem:545668691-376-07-Bromooxindole320734-35-87-Bromoindolin-2-one7-bromo-1,3-dihydroindol-2-one7-Bromo-1,3-dihydro-2H-indol-2-oneMFCD021796137-BROMO-1,3-DIHYDRO-INDOL-2-ONE7-Bromo-2-indolinone7-bromo-2-oxindole

Show more names

7-CHLOROOXINDOLE7-Chloro-1,3-dihydro-indol-2-one

PB172812H-Indol-2-one, 7-bromo-1,3-dihydro-7-chloro-1H-indol-2-olA821119SCHEMBL837443DTXSID10378343AKOS015834670CS-W000051

Database identifiers

CAS: 320734-35-8
PubChem CID: 2773291
DTXSID: DTXSID10378343
EC Number: 691-376-0
Nikkaji: J1.425.537K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 194 · 194-200°C
Boiling point: 358.8 · 358.8±42.0 °C(Predicted)
Density: 1.666 · 1.666±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
pka: 13.22 · 13.22±0.20(Predicted)
color: White to Light yellow to Light orange
InChI: InChI=1S/C8H6BrNO/c9-6-3-1-2-5-4-7(11)10-8(5)6/h1-3H,4H2,(H,10,11)
InChIKey: WSUWXWBRIBGIQT-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2Br)CC1=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 302 · P302+P352-P305+P351+P338-P362+P364
Hazard Codes: Xi
Risk Statements

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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933790090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H315-H319-H335
Precautionary statements: P302+P352-P305+P351+P338-P362+P364

Chemistry & industry

Preparation methods · 1 item

PreparationSTEP A: Preparation of 7-chloro-3-hydrazono-oxindole. A solution of 25.0 g of 7-chloro-isatin in 250 ml of ethanol is refluxed for 24 hours, cooled, and precipitate recovered by filtering and washed once with ethanol and twice with pentane to obtain 7-chloro-3-hydrazono oxindole, m.p. 217-219℃. (decomp.). STEP B: Preparation of 7-chloro-oxindole. To a solution of sodium ethoxide prepared by heating 5.5 g of sodium in 200 ml. of ethanol at 70°℃. is added 17 g of 7-chloro-3-hydrazono-oxindole over a period of 3.5 hours, and the resulting solution is heated at 70℃. for 24 hours. The solvent is evaporated in vacuo, the residue dissolved in water, acidified with 6 N-hydro chloric acid and the resulting precipitate recovered by filtering, washed three times with water, dried by suc tion and crystallized from methylene chloride/ether to obtain 7-chlorooxindole, 28-220℃.