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5-Nitroisatoic anhydride

5-Nitroisatoic anhydride structure

CAS No:
4693-02-1
Formula:
C8H4N2O5
Chemical Name:
5-Nitroisatoic anhydride
Synonyms:
2H-3,1-Benzoxazine-2,4(1H)-dione,6-nitro-;6-Nitro-2H-3,1-benzoxazine-2,4(1H)-dione;5-Nitroisatoic anhydride;6-Nitro-1H-benzo[d][1,3]oxazine-2,4-dione;NSC 73615;6-Nitro-benzo[d][1,3]oxazine-2,4-dione
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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5-Nitroisatoic anhydride Basic Attributes

Molecular Weight：

208.13

Exact Mass：

208.13

EC Number：

225-151-1

NSC Number：

73615

DSSTox ID：

DTXSID7063558

HScode：

2934999090

Characteristics

PSA：

108.89000

XLogP3：

0.91270

Density：

1.623g/cm3

Melting Point：

224-232 °C (decomp)

Boiling Point：

347.31°C (rough estimate)

Refractive Index：

1.629

Safety Information

Precautionary statement(s)：

P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Nitroisatoic anhydride Use and Manufacturing

Manufacturing Info：

2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-: INACTIVE

Computed Properties

Molecular Weight:208.13
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Exact Mass:208.01202123
Monoisotopic Mass:208.01202123
Topological Polar Surface Area:101
Heavy Atom Count:15
Complexity:324
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes