CAS 1677-47-0 4,5-Dichloro-1H-indole-2,3-dione (HCID 5139980)

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Basic information

CAS: 1677-47-0
Standard SMILES: O=C1Nc2ccc(Cl)c(Cl)c2C1=O
InChIKey: WWSWHYAXEFLETD-UHFFFAOYSA-N
Molecular formula: C8H3Cl2NO2
Average molar mass: 216.02 g/mol
Monoisotopic mass: 214.9540837

Names & identifiers

Preferred name: 4,5-Dichloro-1H-indole-2,3-dione
IUPAC: 4,5-dichloro-1H-indole-2,3-dione
English name: 4,5-Dichloro-1H-indole-2,3-dione
Molecular formula: C8H3Cl2NO2
Molecular weight: 216.02

Names & synonyms

1677-47-04,5-dichloro-1H-indole-2,3-dione4,5-dichloro-2,3-dihydro-1H-indole-2,3-dioneRefChem:507649634-102-74,5-Dichloroisatin4,5-Dichloroindoline-2,3-dione1H-Indole-2,3-dione, 4,5-dichloro-MFCD001850144,5-Dichlorisatin4,5-dichloro-1H-indol-2,3-dioneIsatin-based compou

Show more names

BUTTPARK 50\07-97

Isatin-based compound, 49UBC84VJV24SCHEMBL734955CHEMBL385799BDBM22829DTXSID90408697WWSWHYAXEFLETD-UHFFFAOYSA-NAC1868

Database identifiers

CAS: 1677-47-0
PubChem CID: 5139980
DTXSID: DTXSID90408697
ChEMBL: CHEMBL385799
UNII: UBC84VJV24
EC Number: 634-102-7
Nikkaji: J12.492C

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 269

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.