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4694-91-1

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4694-91-1 Structure

4694-91-1 Structure
IdentificationMore
[Name]

6-NITRO BENZOXAZOLINONE
[CAS]

4694-91-1
[Synonyms]

2(3H)-BENZOXAZOLONE, 6-NITRO-
6-NITRO-2-BENZOXAZOLINONE
6-NITRO-3H-BENZOOXAZOL-2-ONE
6-NITROBENZO[D]OXAZOL-2(3H)-ONE
6-NITROBENZOXAZOLE-2(3H)-ONE
6-NITRO BENZOXAZOLINONE
6-nitrobenzoxazol-2(3H)-one
6-NITRO-2(3H)-BENZOOXAZOLONE
6-Nitro-2(3H)-benzoxazolone, 98%
[EINECS(EC#)]

225-157-4
[Molecular Formula]

C7H4N2O4
[MDL Number]

MFCD00092622
[Molecular Weight]

180.12
[MOL File]

4694-91-1.mol
Chemical PropertiesBack Directory
[Melting point ]

248-252 °C(lit.)
[density ]

1.580±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

Powder or Needles
[pka]

7.89±0.70(Predicted)
[color ]

White to off-white
[InChI]

1S/C7H4N2O4/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
[InChIKey]

JGYJZHYTADCWIK-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1ccc2NC(=O)Oc2c1
[CAS DataBase Reference]

4694-91-1(CAS DataBase Reference)
[EPA Substance Registry System]

2(3H)-Benzoxazolone, 6-nitro- (4694-91-1)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

29349990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Spectrum DetailBack Directory
[Spectrum Detail]

6-NITRO BENZOXAZOLINONE(4694-91-1)1HNMR
6-NITRO BENZOXAZOLINONE(4694-91-1)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

6-Nitro-2(3H)-benzoxazolone, 98%(4694-91-1)
[Sigma Aldrich]

4694-91-1(sigmaaldrich)
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