4-Hydroxymethyl-3,5-dichlorophenol - ≥95% , CAS No.720679-54-9

CAS: 720679-54-9 Cat. No.: H400308 분자식: C₇H₆Cl₂O₂ 분자량: 193.02 EC 번호: 870-704-8

GRADE & PURITY ≥95%

Synonyms

4-hydroxymethyl-3,5-dichlorophenol | DTXSID70716969 | D97495 | A866323 | BSGDGPHCFWORGF-UHFFFAOYSA-N | CK-0710 | SCHEMBL5940300 | 2,6-Dichloro-4-hydroxybenzyl alcohol | MFCD06797936 | AKOS006286744 | 3,5-Dichloro-4-(hydroxymethyl)phenol

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

4-hydroxymethyl-3,5-dichlorophenol | DTXSID70716969 | D97495 | A866323 | BSGDGPHCFWORGF-UHFFFAOYSA-N | CK-0710 | SCHEMBL5940300 | 2,6-Dichloro-4-hydroxybenzyl alcohol | MFCD06797936 | AKOS006286744 | 3,5-Dichloro-4-(hydroxymethyl)phenol

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

• Pubchem Sid: 504771406
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771406
• 정식 스마일: C1=C(C=C(C(=C1Cl)CO)Cl)O
• IUPAC Name: 3,5-dichloro-4-(hydroxymethyl)phenol
• InChIKey: BSGDGPHCFWORGF-UHFFFAOYSA-N
• INCHI: 1S/C7H6Cl2O2/c8-6-1-4(11)2-7(9)5(6)3-10/h1-2,10-11H,3H2
• 이성체 SMILES: C1=C(C=C(C(=C1Cl)CO)Cl)O
• 분자량: 193.02
• Reaxy-Rn: 14261981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14261981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: M-chlorophenols Benzyl alcohols 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Primary alcohols Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - 1,3-dichlorobenzene - 3-halophenol - 3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Alcohol - Organohalogen compound - Organochloride - Organooxygen compound - Primary alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

• 분자량: 193.020 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 191.974 Da
• Monoisotopic Mass: 191.974 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 120.000
• 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