3-Thiopheneethanol - ≥98%(GC) , CAS No.13781-67-4

CAS: 13781-67-4 Cat. No.: T162832 Formula: C₆H₈OS Peso molecolare: 128.19 Beilstein Registry Number: 107080 Numero EC: 237-434-7 PubChem CID: 83731

GRADE & PURITY ≥98%(GC)

Synonyms

AM61323 | FT-0608565 | J-007062 | Oprea1_728732 | 3-Thiopheneethanol, 99% | 2-thiophen-3-ylethanol | 4-isoamyloxybenzoic acid | EN300-62324 | 2-(3-Thienyl)-1-ethanol | 2-(Thiophen-3-yl)ethanol | Acetic acid, phenyl-, 1,5-dimethyl-1-vinyl-4-hexenyl ester |

Storage

Room temperature

Shipped In

Normal

Panoramica

3-Thiopheneethanol [3-(2-hydroxyethyl)thiophene] was used in the synthesis of various ether and ester derivatives such as 3-(2-(benzyloxy)ethyl)thiophene, 3-[2-((triphenylmethyl)oxy)ethyl]thiophene, 3-[2-((trimethylsilyl)oxy)ethyl]thiophene, 3-[2-((dimethyl-tert-butylsilyl)oxy)ethyl]thiophene, 3-(2-acetoxyethyl)thiophene and 3-(2-(benzoyloxy)ethyl)thiophene.

Specifications

Sinonimi

AM61323 | FT-0608565 | J-007062 | Oprea1_728732 | 3-Thiopheneethanol, 99% | 2-thiophen-3-ylethanol | 4-isoamyloxybenzoic acid | EN300-62324 | 2-(3-Thienyl)-1-ethanol | 2-(Thiophen-3-yl)ethanol | Acetic acid, phenyl-, 1,5-dimethyl-1-vinyl-4-hexenyl ester |

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

488186206

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186206

Sorrisi canonici

C1=CSC=C1CCO

IUPAC Name

2-thiophen-3-ylethanol

InChIKey

YYPNNBPPDFTQFX-UHFFFAOYSA-N

INCHI

1S/C6H8OS/c7-3-1-6-2-4-8-5-6/h2,4-5,7H,1,3H2

Isomeri SMILES

C1=CSC=C1CCO

WGK Germania

3

PubChem CID

83731

Peso molecolare

128.19

Beilstein

107080

Reaxy-Rn

107080

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

• Solubilità: Sparingly soluble in water(0.059 g/L at 25°C).
• Indice di rifrazione: 1.553
• Punto di infiammabilità (°F): 197°F
• Punto di infiammabilità (°C): 92℃
• Punto di ebollizione (°C): 110-111℃/14mm
• Peso molecolare: 128.190 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 128.03 Da
• Monoisotopic Mass: 128.03 Da
• Topological Polar Surface Area: 48.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 65.500
• 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