5-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

HCID 10487522

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Basic information

CAS: 20877-81-0
Standard SMILES: Cc1cccc2[nH]c(=O)oc(=O)c12
InChIKey: KJBDXWPWJNDBOS-UHFFFAOYSA-N
Molecular formula: C9H7NO3
Average molar mass: 177.16 g/mol
Monoisotopic mass: 177.04259308

Names & identifiers

Preferred name: 5-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
IUPAC: 5-methyl-1H-3,1-benzoxazine-2,4-dione
English name: 6-Methylisatoic anhydride
Molecular formula: C9H7NO3
Molecular weight: 177.16

Names & synonyms

20877-81-05-methyl-2,4-dihydro-1H-3,1-benzoxazine-2,4-dioneRefChem:536943828-556-75-Methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione5-methyl-2H-3,1-benzoxazin-2,4(1H)-dione6-Methylisatoic anhydride2H-3,1-Benzoxazine-2,4(1H)-dione, 5-methyl-5-Methyl-1H-3,1-benzoxazine-2,4-dione5-methyl-1H-benzo[d][1,3]oxazine-2,4-dioneMFCD007973316-methyl isatoic anhydride

Show more names

6-methyl-isatoic anhydride5-methyl-2H-3,1-benzoxazine-2,4(1H)-dioneSCHEMBL6199376-methylisatoic acid anhydride6-methyl-isatoic acid anhydrideKJBDXWPWJNDBOS-UHFFFAOYSA-NDTXSID101381989AKOS006271417

Database identifiers

CAS: 20877-81-0
PubChem CID: 10487522
DTXSID: DTXSID101381989
EC Number: 828-556-7
Nikkaji: J1.234.861D

Properties

Computed structural properties

XLogP: 1.4
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: 251

Physicochemical properties

Melting point: 220 · 220-235 °C(Solv: ethanol (64-17-5))
Density: 1.335 · 1.335±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
pka: 10.76 · 10.76±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H303-H333
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P312-P304+P340-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H303+H333 (100%): May be harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P317, 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 CategoriesAcute Tox. 5 (100%)

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335-H303-H333
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P312-P304+P340-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501