6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione

HCID 90359CAS 24088-81-1

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Basic information

Standard SMILES: O=c1[nH]c(=O)c2cc(Cl)ccc2o1
InChIKey: QYCPYRXDUHFORA-UHFFFAOYSA-N
Molecular formula: C8H4ClNO3
Average molar mass: 197.57 g/mol
Monoisotopic mass: 196.98797067

Names & identifiers

Preferred name: 6-Chloro-2h-1,3-benzoxazine-2,4(3h)-dione
IUPAC: 6-chloro-1,3-benzoxazine-2,4-dione
English name: 6-CHLOROISATIN
Molecular formula: C8H4ClNO3
Molecular weight: 197.58

Names & synonyms

24088-81-16-Chloro-2H-benzo[e][1,3]oxazine-2,4(3H)-dione6-chloro-2h-1,3-benzoxazine-2,4(3h)-dione6-chloro-1,3-benzoxazine-2,4-dione6-chloro-3,4-dihydro-2h-1,3-benzoxazine-2,4-dione2H-1,3-Benzoxazine-2,4(3H)-dione, 6-chloro-SCHEMBL2338540SCHEMBL30594168DTXSID50946924QYCPYRXDUHFORA-UHFFFAOYSA-NZAA08881AT38224

Show more names

BUTTPARK 50\07-926-CHLOROINDOLE-2,3-DIONE6-CHLORO ISATIN ANHYDRIDE6-CHLORO-2,3-INDOLINEDIONE6-CHLORO ISATINIC ANHYDRIDE6-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione4-[2-(sulfothio)ethylamino]butoxycycloheptane

6-chloro-[1,3]benzoxazine-2,4-dioneAS-93347CS-01383046-Chloro-4-hydroxy-2H-1,3-benzoxazin-2-one6-chloro-2H- 1,3-benzoxazine-2,4(3H)-dione6-Chloro-4-hydroxy-2H-1,3-benzoxazin-2-onatoEN300-25099270F619071

Database identifiers

CAS: 24088-81-1
PubChem CID: 90359
DTXSID: DTXSID50946924

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 256

Physicochemical properties

Melting point: 300 · 300 ºC
Density: 1.54 · 1.540±0.06 g/cm3(Predicted)
pka: 9.03 · 9.03±0.20(Predicted)
CAS DataBase Reference: 24088 · 24088-81-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-43-36-22
Safety Statements: 26 · 26-37/39-36/37

Safety & regulation

Safety data

risk_code: 36/37/38-43-36-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362