Biphenyl-3-carboxaldehyde - ≥96%(GC) , CAS No.1204-60-0

CAS: 1204-60-0 Cat. No.: B151875 Formula: C₁₃H₁₀O Peso molecolare: 182.22 Numero EC: 631-396-9

GRADE & PURITY ≥96%(GC)

Synonyms

Biphenyl-3-carboxaldehyde, 96% | [1,1'-biphenyl]-3-carbaldehyde | [1,1-Biphenyl]-3-carbaldehyde | A804511 | CCRIS 3164 | EN300-50981 | DTXSID70152848 | F1371-0199 | KFKSIUOALVIACE-UHFFFAOYSA-N | [1,1'-BIPHENYL]-3-CARBOXALDEHYDE | 3-Phenylbenzaldehyde | 3-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

Biphenyl-3-carboxaldehyde, 96% | [1,1'-biphenyl]-3-carbaldehyde | [1,1-Biphenyl]-3-carbaldehyde | A804511 | CCRIS 3164 | EN300-50981 | DTXSID70152848 | F1371-0199 | KFKSIUOALVIACE-UHFFFAOYSA-N | [1,1'-BIPHENYL]-3-CARBOXALDEHYDE | 3-Phenylbenzaldehyde | 3-

Specifiche e purezza

≥96%(GC)

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥96%(GC)

Nomi e identificatori

Pubchem Sid

488187647

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187647

Sorrisi canonici

C1=CC=C(C=C1)C2=CC=CC(=C2)C=O

IUPAC Name

3-phenylbenzaldehyde

InChIKey

KFKSIUOALVIACE-UHFFFAOYSA-N

INCHI

1S/C13H10O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-10H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC=CC(=C2)C=O

WGK Germania

3

RTECS

DV1771500

Peso molecolare

182.22

Reaxy-Rn

2435839

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2435839&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzoyl derivatives Benzaldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Obiettivi associati (umani)

SLC6A1 Tclin GABA transporter 1 (308 Activities)

Discover Target: SLC6A1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.63
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 125 °C/1 mmHg
• Peso molecolare: 182.220 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 182.073 Da
• Monoisotopic Mass: 182.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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