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

CAS: 1204-60-0 Cat. No.: B151875 Molecular Weight: 182.22 EC Number: 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

Argon charged,Room temperature

Shipped In

Normal

Specifications

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-

Specifications & Purity

≥96%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥96%(GC)

Names and Identifiers

• Pubchem Sid: 488187647
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187647
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)C2=CC=CC(=C2)C=O
• WGK Germany: 3
• RTECS: DV1771500
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.63
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 125 °C/1 mmHg
• Molecular Weight: 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