2-Chloro-3-hydroxybenzaldehyde - ≥97% , CAS No.56962-10-8

CAS: 56962-10-8 Cat. No.: C193994 분자식: C₇H₅ClO₂ 분자량: 156.57 EC 번호: 627-759-6

GRADE & PURITY ≥97%

Synonyms

AMY14104 | Benzaldehyde,2-chloro-3-hydroxy- | SCHEMBL286523 | DS-2483 | 2-Chloro-3-hydroxybenzaldehyde | 2-Chloro-3-hydroxy-benzaldehyde | Benzaldehyde, 2-chlorohydroxy- | 2-Chloro-3-hydroxybenzaldehyde, 97% | 2-Chloro-3-hydroxybenzaldehyde # | Z125548978

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

동의어

AMY14104 | Benzaldehyde,2-chloro-3-hydroxy- | SCHEMBL286523 | DS-2483 | 2-Chloro-3-hydroxybenzaldehyde | 2-Chloro-3-hydroxy-benzaldehyde | Benzaldehyde, 2-chlorohydroxy- | 2-Chloro-3-hydroxybenzaldehyde, 97% | 2-Chloro-3-hydroxybenzaldehyde # | Z125548978

사양 및 순도

≥97%

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

504759418

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759418

정식 스마일

C1=CC(=C(C(=C1)O)Cl)C=O

IUPAC Name

2-chloro-3-hydroxybenzaldehyde

InChIKey

SEEAPLJEIJXFFU-UHFFFAOYSA-N

INCHI

1S/C7H5ClO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H

이성체 SMILES

C1=CC(=C(C(=C1)O)Cl)C=O

WGK 독일

2

UN 번호

3077

포장 그룹

III

분자량

156.57

Reaxy-Rn

3235456

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235456&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: O-chlorophenols Benzoyl derivatives Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 2-chlorophenol - 2-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Organochloride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group.
• 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

화학 및 물리적 특성

• 감도: Air sensitive
• 녹는점(°C): 139-143 °C
• 분자량: 156.560 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 155.998 Da
• Monoisotopic Mass: 155.998 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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