Identification Chemical Properties Safety Data Supplier

5791-00-4

Name 6-CHLORO-2-METHYL-2H-1,4-BENZOXAZIN-3(4H)-ONE
CAS 5791-00-4
Molecular Formula C9H8ClNO2
MDL Number MFCD01744501
Molecular Weight 197.62
MOL File 5791-00-4.mol

Chemical Properties

Melting point  172.0 to 176.0 °C
Boiling point  356.9±42.0 °C(Predicted)
density  1.302±0.06 g/cm3(Predicted)
form  powder to crystal
pka 11.93±0.40(Predicted)
color  White to Light yellow to Light orange
InChI 1S/C9H8ClNO2/c1-5-9(12)11-7-4-6(10)2-3-8(7)13-5/h2-5H,1H3,(H,11,12)
InChIKey MGOCBXKZDZRPMK-UHFFFAOYSA-N
SMILES Clc1cc2c(cc1)OC(C(=O)N2)C

Safety Data

Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
RTECS  DM3750000
HS Code  2934999090
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Chronic 2

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