2-Hydroxymethyl-1,3-propanediol - ≥97% , CAS No.4704-94-3

CAS: 4704-94-3 Cat. No.: H170489 Fórmula: C₄H₁₀O₃ Peso molecular: 106.12 Número CE: 225-187-8

GRAU & PUREZA ≥97%

Synonyms

BCP14986 | AM20100186 | 2-methylolpropane-1,3-diol | EINECS 225-187-8 | SCHEMBL37777 | SY026482 | Methyl 5-chloro-2-hydroxyebenzoate | Tris(hydroxymethyl)methane | DTXSID50197010 | Benzoic acid, 4-(methylsulfonyl)- | 2-hydroxymethyl-propane-1,3-diol | 2-h

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

BCP14986 | AM20100186 | 2-methylolpropane-1,3-diol | EINECS 225-187-8 | SCHEMBL37777 | SY026482 | Methyl 5-chloro-2-hydroxyebenzoate | Tris(hydroxymethyl)methane | DTXSID50197010 | Benzoic acid, 4-(methylsulfonyl)- | 2-hydroxymethyl-propane-1,3-diol | 2-h

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488185576

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185576

Sorrisos canónicos

C(C(CO)CO)O

IUPAC Name

2-(hydroxymethyl)propane-1,3-diol

InChIKey

SFRDXVJWXWOTEW-UHFFFAOYSA-N

INCHI

1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2

SMILES isoméricas

C(C(CO)CO)O

Peso molecular

106.12

Reaxy-Rn

1733340

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733340&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Peso molecular: 106.120 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 106.063 Da
• Monoisotopic Mass: 106.063 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 28.400
• 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