Molecular Structure of 2H-1,3-Benzoxazine-2,4(3H)-dione,6-chloro- (CAS NO.24088-81-1):
IUPAC Name: 6-chloro-1,3-benzoxazine-2,4-dione
Empirical Formula: C8H4ClNO3
Molecular Weight: 197.5753
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 46.61 Å2
Index of Refraction: 1.6
Molar Refractivity: 43.92 cm3
Molar Volume: 128.2 cm3
Polarizability: 17.41 10-24cm3
Surface Tension: 54.4 dyne/cm
Melting Point: 300 ºC
Density: 1.54 g/cm3
InChI
InChI=1/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)10-8(12)13-6/h1-3H,(H,10,11,12)
Smiles
[nH]1c(c2cc(Cl)ccc2oc1=O)=O
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
2H-1,3-Benzoxazine-2,4(3H)-dione,6-fluoro- , with CAS number of 24088-81-1, can be called 6-Chloro isatinic anhydride ; 6-chloroindole-2,3-dione ; 6-chloro isatin anhydride ; 6-chloro-2,3-indolinedione ; buttpark 50\07-92;6-chloro-1h-benzo[d][1,3]oxazine-2,4-dione .
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