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5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE

5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE structure

CAS No:
40707-01-5
Formula:
C9H6ClNO3
Chemical Name:
5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE
Synonyms:
2H-3,1-Benzoxazine-2,4(1H)-dione, 5-chloro-1-Methyl-;5-chloro-1-Methyl-2H-benzo[d][1,3]oxazine-2,4(1H)-dione;5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE;5-chloro-1-methyl-3,1-benzoxazine-2,4-dione
Categories:
Pharmaceutical Intermediates > CNS Agents

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5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Basic Attributes

Molecular Weight：

211.60184

Exact Mass：

211.00400

DSSTox ID：

DTXSID80343028

Characteristics

PSA：

46.6

XLogP3：

1.8

Density：

1.476 g/cm3

Melting Point：

217.9-218.2 °C

Boiling Point：

344.8°C at 760 mmHg

Flash Point：

162.3ºC

Refractive Index：

1.597

5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE Use and Manufacturing

Iodomethane (2 mL, 4.6 mmol, 4 eq) and DIPEA (1 mL, 0.74 mol) were suspended in DMA (10 mL) for 10 min at RT. Then 5-chloroisatoic anhydride (200 mg, 1.01 mmol, 1eq) was added and the reaction mixture was stirred at for 5 H at 40 °C. The resulted product 2d was collected by filtration and washed with water (150 mg, 70percent). mp = 224 °C, IR (KBr) υ 1774, 1716, 1593 cm

Computed Properties

Molecular Weight:211.60
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Exact Mass:211.0036207
Monoisotopic Mass:211.0036207
Topological Polar Surface Area:46.6
Heavy Atom Count:14
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Latest News
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5-CHLORO-1-METHYL-1H-BENZO[D][1,3]OXAZINE-2,4-DIONE

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