2-(Hydroxymethyl)benzoic acid - ≥97% , CAS No.612-20-4

CAS: 612-20-4 Cat. No.: H304137 Formula: C₈H₈O₃ Peso molecolare: 152.15 Numero EC: 210-298-6

GRADE & PURITY ≥97%

Synonyms

2-(HYDROXYMETHYL)BENZOIC ACID | BBL018811 | STK039568 | UNII-KJ3Z1IJ8O3 | 2-(HYDROXYMETHYL)BENZOICACID | o-Toluic acid, alpha-hydroxy- | NSC30638 | NSC-30638 | 2-methylolbenzoic acid | Q27282279 | HY-W019358 | AMY30363 | 2-Hydroxymethyl-Benozoic acid | Be

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

2-(HYDROXYMETHYL)BENZOIC ACID | BBL018811 | STK039568 | UNII-KJ3Z1IJ8O3 | 2-(HYDROXYMETHYL)BENZOICACID | o-Toluic acid, alpha-hydroxy- | NSC30638 | NSC-30638 | 2-methylolbenzoic acid | Q27282279 | HY-W019358 | AMY30363 | 2-Hydroxymethyl-Benozoic acid | Be

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488181477
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181477
• Sorrisi canonici: C1=CC=C(C(=C1)CO)C(=O)O
• IUPAC Name: 2-(hydroxymethyl)benzoic acid
• InChIKey: MGMNPSAERQZUIM-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)
• Isomeri SMILES: C1=CC=C(C(=C1)CO)C(=O)O
• Peso molecolare: 152.15
• Reaxy-Rn: 2574900
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2574900&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: Benzoic acids
• Alternative Parents: Benzyl alcohols Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzyl alcohol - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 169.9°C
• Punto di ebollizione (°C): 333.9°C at 760 mmHg
• Peso molecolare: 152.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 144.000
• 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