ChemicalBook--->CAS DataBase List--->96-97-9

96-97-9

96-97-9 Structure

96-97-9 Structure
IdentificationMore
[Name]

5-Nitrosalicylic acid
[CAS]

96-97-9
[Synonyms]

2-HYDROXY-5-NITROBENZOIC ACID
5-NITRO-2-HYDROXY-BENZOIC ACID
5-NITROSALICYLIC ACID
ANILOTIC ACID
AURORA KA-2534
RARECHEM AL BE 0192
TIMTEC-BB SBB006535
2-hydroxy-5-nitro-benzoicaci
5-Nitrosalicylicacid,98%
Benzoic acid, 2-hydroxy-5-nitro-
2-Hydroxy-3-nitrobenzoic acid 98%
2-HYDROXY-5-NITROBENZOIC ACID/5-NITROSALICYLIC ACID
5-NITROSALICYLIC ACID 99%
5-Nitro-o-hydroxybenzoic acid
[EINECS(EC#)]

202-548-8
[Molecular Formula]

C7H5NO5
[MDL Number]

MFCD00007338
[Molecular Weight]

183.12
[MOL File]

96-97-9.mol
Chemical PropertiesBack Directory
[Appearance]

yellow powder
[Melting point ]

228-230 °C(lit.)
[Boiling point ]

316.77°C (rough estimate)
[density ]

1,65 g/cm3
[vapor pressure ]

0Pa at 25℃
[refractive index ]

1.6280 (estimate)
[storage temp. ]

no restrictions.
[solubility ]

water: soluble1g in 1475ml(lit.)
[form ]

Liquid
[pka]

pK1:2.12 (25°C)
[color ]

Clear yellow-beige to orange-brown
[Water Solubility ]

Soluble in water 1g/1475ml .
[Merck ]

14,6632
[BRN ]

2213719
[InChI]

1S/C7H5NO5/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,9H,(H,10,11)
[InChIKey]

PPDRLQLKHRZIJC-UHFFFAOYSA-N
[SMILES]

OC(=O)c1cc(ccc1O)[N+]([O-])=O
[LogP]

1.158 at 25℃
[CAS DataBase Reference]

96-97-9(CAS DataBase Reference)
[EPA Substance Registry System]

96-97-9(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
[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 .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[REACH Registrations]

Inactive
[HS Code ]

29182990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

5-Aminosalicylic acid-->3-Nitrosalicylic acid-->2,6-Diiodo-4-nitrophenol-->Methyl 5-aminosalicylate-->2-(Hydroxymethyl)-4-nitrobenzenol-->Methyl 5-nitrosalicylate-->5-Hydroxy-2-nitrobenzoic acid-->N-[4-Chloro-3-(trifluoroMethyl)phenyl]-2-hydroxy-5-nitrobenzaMide-->N,2-dihydroxy-5-nitrobenzaMide
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Hydroxy-5-nitrobenzoic acid(96-97-9).msds
Hazard InformationBack Directory
[Chemical Properties]

yellow powder
[Uses]

5-Nitrosalicylic Acid is a salicylic acid derivative with anti-inflammatory effect against colitis.
[Definition]

ChEBI: A monohydroxybenzoic acid in which the hydroxy group is ortho- to the carboxylic acid group and which has a nitro substituent para- to the phenolic hydroxy group.
[Synthesis Reference(s)]

Tetrahedron Letters, 36, p. 2377, 1995 DOI: 10.1016/0040-4039(95)00281-G
[General Description]

2-Hydroxy-5-nitrobenzoic acid inhibits the activity of wild type-bovine low Mr protein tyrosine phosphatase. The inhibition constant has been evaluated.
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Crystallise the acid from Me2CO (charcoal), then twice more from Me2CO alone, aqueous EtOH (m 234-236o) or H2O (m 232-233o). [Beilstein 10 III 197, 10 IV 255.]
Spectrum DetailBack Directory
[Spectrum Detail]

5-Nitrosalicylic acid(96-97-9)MS
5-Nitrosalicylic acid(96-97-9)1HNMR
5-Nitrosalicylic acid(96-97-9)13CNMR
5-Nitrosalicylic acid(96-97-9)IR1
5-Nitrosalicylic acid(96-97-9)IR2
5-Nitrosalicylic acid(96-97-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Nitrosalicylic acid, 99%(96-97-9)
[Alfa Aesar]

5-Nitrosalicylic acid, 98%(96-97-9)
[Sigma Aldrich]

96-97-9(sigmaaldrich)
[TCI AMERICA]

5-Nitrosalicylic Acid,>98.0%(GC)(T)(96-97-9)
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