acide 3-hydroxy-4-nitrobenzoïque - ≥96% , CAS No.619-14-7

CAS: 619-14-7 Cat. No.: H157082 Formule: C₇H₅NO₅ Poids moléculaire: 183.12 Beilstein Registry Number: 2107560 Numéro CE: 210-580-9

GRADE & PURITY ≥96%

Synonyms

MFCD00007110 | DTXSID20210922 | 3-hydroxy4nitrobenzoic acid | 3-Hydroxy-4-nitrobenzoic acid | 3-Hydroxy-4-nitro-benzoic acid | NSC 46823 | AE-562/43459443 | Z85939519 | AB00843 | 3-Hydroxy-4-nitrobenzoic acid, 95% | STR04954 | AC-512 | 3-Carboxy-6-nitroph

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

MFCD00007110 | DTXSID20210922 | 3-hydroxy4nitrobenzoic acid | 3-Hydroxy-4-nitrobenzoic acid | 3-Hydroxy-4-nitro-benzoic acid | NSC 46823 | AE-562/43459443 | Z85939519 | AB00843 | 3-Hydroxy-4-nitrobenzoic acid, 95% | STR04954 | AC-512 | 3-Carboxy-6-nitroph

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Pubchem Sid

488184274

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184274

Sourires canoniques

C1=CC(=C(C=C1C(=O)O)O)[N+](=O)[O-]

IUPAC Name

3-hydroxy-4-nitrobenzoic acid

InChIKey

XLDLRRGZWIEEHT-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1=CC(=C(C=C1C(=O)O)O)[N+](=O)[O-]

WGK Allemagne

3

Poids moléculaire

183.12

Beilstein

2107560

Reaxy-Rn

2107564

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2107564&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzoic acids and derivatives
• Alternative Parents: Hydroxybenzoic acid derivatives Nitrophenols Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzoate - Hydroxybenzoic acid - Nitrophenol - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Point de fusion (°C): 232-236°
• Poids moléculaire: 183.120 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 183.017 Da
• Monoisotopic Mass: 183.017 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 619-14-7, the molecular formula is C7H5NO5, and the molecular weight is 183.12 g/mol. InChIKey XLDLRRGZWIEEHT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.