5-chloro-2-propoxybenzaldehyde - ≥98% , CAS No.27590-75-6

CAS: 27590-75-6 Cat. No.: C354574 Formule: C₁₀H₁₁ClO₂ Poids moléculaire: 198.65

GRADE & PURITY ≥98%

Synonyms

E89681 | DTXSID10403609 | EN300-92333 | VS-04111 | SCHEMBL14785176 | STK198931 | Benzaldehyde, 5-chloro-2-propoxy- | CRZNXLNLEMYCCI-UHFFFAOYSA-N | MFCD03422441 | AKOS000294804 | BBL014013 | J-016821 | 5-chloro-2-propoxybenzaldehyde | 5-Chloro-2-propoxy-be

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

E89681 | DTXSID10403609 | EN300-92333 | VS-04111 | SCHEMBL14785176 | STK198931 | Benzaldehyde, 5-chloro-2-propoxy- | CRZNXLNLEMYCCI-UHFFFAOYSA-N | MFCD03422441 | AKOS000294804 | BBL014013 | J-016821 | 5-chloro-2-propoxybenzaldehyde | 5-Chloro-2-propoxy-be

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488194889

Sourires canoniques

CCCOC1=C(C=C(C=C1)Cl)C=O

IUPAC Name

5-chloro-2-propoxybenzaldehyde

InChIKey

CRZNXLNLEMYCCI-UHFFFAOYSA-N

INCHI

1S/C10H11ClO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h3-4,6-7H,2,5H2,1H3

Isomères SMILES

CCCOC1=C(C=C(C=C1)Cl)C=O

Poids moléculaire

198.65

Reaxy-Rn

2444020

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2444020&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzaldehyde - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl-aldehyde - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Ether - Organohalogen compound - Aldehyde - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Propriétés chimiques et physiques

• Indice de réfraction: n20D1.55
• Point d'ébullition (°C): 294.4° C at 760 mmHg
• Poids moléculaire: 198.640 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.045 Da
• Monoisotopic Mass: 198.045 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 161.000
• 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