ChemicalBook--->CAS DataBase List--->1539-06-6

1539-06-6

1539-06-6 Structure

1539-06-6 Structure
IdentificationMore
[Name]

4-Acetamido-3-nitrobenzoic acid
[CAS]

1539-06-6
[Synonyms]

4-ACETAMIDO-3-NITROBENZOIC ACID
4-ACETAMINO-3-NITROBENZOIC ACID
4-(ACETYLAMINO)-3-NITROBENZENECARBOXYLIC ACID
4-ACETYLAMINO-3-NITROBENZOIC ACID
IFLAB-BB F0848-0321
RARECHEM AL BO 2003
4-(acetylamino)-3-nitro-benzoicaci
4-Acetamido-3-nitrobenzoic acid, 98+%
4-Acetamido-3-nitrobenzoic acid, 97+%
[EINECS(EC#)]

216-265-2
[Molecular Formula]

C9H8N2O5
[MDL Number]

MFCD00014703
[Molecular Weight]

224.17
[MOL File]

1539-06-6.mol
Chemical PropertiesBack Directory
[Appearance]

beige to yellow crystalline powder
[Melting point ]

220-224 °C (lit.)
[Boiling point ]

365.56°C (rough estimate)
[density ]

1.4656 (rough estimate)
[refractive index ]

1.5570 (estimate)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

3.62±0.10(Predicted)
[BRN ]

2217819
[InChI]

1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
[InChIKey]

BRQIMWBIZLRLSV-UHFFFAOYSA-N
[SMILES]

CC(=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O
[CAS DataBase Reference]

1539-06-6(CAS DataBase Reference)
[EPA Substance Registry System]

Benzoic acid, 4-(acetylamino)-3-nitro- (1539-06-6)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection .
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 ]

29242990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

N,N-Dimethylformamide-->Nitric acid-->4-acetamidobenzoic acid
Hazard InformationBack Directory
[Chemical Properties]

beige to yellow crystalline powder
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Acetamido-3-nitrobenzoic acid, 98%(1539-06-6)
[Alfa Aesar]

4-Acetamido-3-nitrobenzoic acid, 97+%(1539-06-6)
[Sigma Aldrich]

1539-06-6(sigmaaldrich)
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