5,7-Dichloro-1H-indole-2,3-dione

HCID 80771

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Basic information

CAS: 6374-92-1
Standard SMILES: O=C1Nc2c(Cl)cc(Cl)cc2C1=O
InChIKey: AYGGQJHJRFZDFH-UHFFFAOYSA-N
Molecular formula: C8H3Cl2NO2
Average molar mass: 216.02 g/mol
Monoisotopic mass: 214.9540837

Names & identifiers

Preferred name: 5,7-Dichloro-1H-indole-2,3-dione
IUPAC: 5,7-dichloro-1H-indole-2,3-dione
English name: 5,7-Dichloro-1H-indole-2,3-dione
Molecular formula: C8H3Cl2NO2
Molecular weight: 216.02

Names & synonyms

5,7-Dichloroisatin6374-92-15,7-Dichloro-1H-indole-2,3-dioneEINECS 228-928-3DTXSID30213181NSC 26045RefChem:528188DTXCID30135672228-928-35,7-Dichloroindoline-2,3-dione1H-Indole-2,3-dione, 5,7-dichloro-MFCD00043905

Show more names

BUTTPARK 50\07-99AKOS BBS-000009985,7-DimethylisotinCHEMBRDG-BB 5228213IFLAB-BB F0020-19725,7-Dichloroisatin 97%5,7-Dichloro-1H-indol-2,3-dione

5,7-dichloro-2,3-dihydro-1H-indole-2,3-dioneNSC26045MLS002639083Isatin, 5,7-dichloro-NSC-260455,7-dichloro-1H-benzo[d]azolidine-2,3-dioneIndole-2,3-dione, 5,7-dichloro-NCIMech_000038

Database identifiers

CAS: 6374-92-1
PubChem CID: 80771
DTXSID: DTXSID30213181
ChEMBL: CHEMBL374740
UNII: E39S628ELX
EC Number: 228-928-3
Nikkaji: J8.392E

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

Melting point: 218 · 218-223 °C(lit.)
Density: 1.643 · 1.643±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 7.42 · 7.42±0.20(Predicted)
form: solid
Appearance: Orange to red Solid
InChI: InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKey: AYGGQJHJRFZDFH-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Cl)C=C2Cl)C(=O)C1=O
CAS DataBase Reference: 6374 · 6374-92-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H318
Precautionary statements: 280 · P280-P301+P312+P330-P305+P351+P338+P310
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 22 · 22-41
Safety Statements: 37 · 37/39
WGK Germany: 2 · 2
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 OralEye · Acute Tox. 4 OralEye Dam. 1

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 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.