2-Hydroxybenzonitrile - ≥95% , CAS No.611-20-1

CAS: 611-20-1 Cat. No.: H103175 Formule: C₇H₅NO Poids moléculaire: 119.12 Beilstein Registry Number: 1210029 Numéro CE: 210-259-3

QUALITÉ & PURETÉ ≥95%

Synonyms

2-hydroxyphenyl cyanide | Benzonitrile, o-hydroxy- | CAS-611-20-1 | AKOS000120269 | Hydroxy Benzonitrile | HY-W012869 | 2-Hydroxybenzonitrile | 2-Hydroxy-benzonitrile | 0R0 | NCGC00255417-01 | Tox21_302110 | Salicylonitrile | 2-Cyanophenol | A21190 | Z104

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

2-hydroxyphenyl cyanide | Benzonitrile, o-hydroxy- | CAS-611-20-1 | AKOS000120269 | Hydroxy Benzonitrile | HY-W012869 | 2-Hydroxybenzonitrile | 2-Hydroxy-benzonitrile | 0R0 | NCGC00255417-01 | Tox21_302110 | Salicylonitrile | 2-Cyanophenol | A21190 | Z104

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥95%

Noms et identifiants

Pubchem Sid

488181472

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181472

Sourires canoniques

C1=CC=C(C(=C1)C#N)O

IUPAC Name

2-hydroxybenzonitrile

InChIKey

CHZCERSEMVWNHL-UHFFFAOYSA-N

INCHI

1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H

Isomères SMILES

C1=CC=C(C(=C1)C#N)O

WGK Allemagne

3

Poids moléculaire

119.12

Beilstein

1210029

Reaxy-Rn

1210029

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210029&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Nitriles Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzonitrile - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Cibles associées (non humaines)

L1210 (27553 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water.
• Point d'ébullition (°C): 149 °C/14 mmHg
• Point de fusion (°C): 92-95°C
• Poids moléculaire: 119.120 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 119.037 Da
• Monoisotopic Mass: 119.037 Da
• Topological Polar Surface Area: 44.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 135.000
• 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

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

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

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

The CAS Number is 611-20-1, the molecular formula is C7H5NO, and the molecular weight is 119.12 g/mol. InChIKey CHZCERSEMVWNHL-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.