3-Chloro-5-nitrophenol - ≥97% , CAS No.618-63-3

CAS: 618-63-3 Cat. No.: C194224 분자식: C₆H₄ClNO₃ 분자량: 173.55 EC 번호: 800-937-2

GRADE & PURITY ≥97%

Synonyms

CL8484 | AN-584/43422887 | FT-0754244 | 3-chloro-5-nitrophenol | A868610 | DTXSID40443290 | DS-9376 | Phenol, 3-chloro-5-nitro- | SCHEMBL939204 | AKOS006333591 | SY113659 | HIZPNTCIGGXRIF-UHFFFAOYSA-N | MFCD15976952

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

CL8484 | AN-584/43422887 | FT-0754244 | 3-chloro-5-nitrophenol | A868610 | DTXSID40443290 | DS-9376 | Phenol, 3-chloro-5-nitro- | SCHEMBL939204 | AKOS006333591 | SY113659 | HIZPNTCIGGXRIF-UHFFFAOYSA-N | MFCD15976952

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: C1=C(C=C(C=C1O)Cl)[N+](=O)[O-]
• IUPAC Name: 3-chloro-5-nitrophenol
• InChIKey: HIZPNTCIGGXRIF-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H
• 이성체 SMILES: C1=C(C=C(C=C1O)Cl)[N+](=O)[O-]
• 분자량: 173.55
• Reaxy-Rn: 3048138
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3048138&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Nitrobenzenes M-chlorophenols Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic salts Organochlorides Organonitrogen compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Nitrobenzene - Nitroaromatic compound - 3-halophenol - 3-chlorophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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: 173.550 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.988 Da
• Monoisotopic Mass: 172.988 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 158.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 618-63-3, the molecular formula is C6H4ClNO3, and the molecular weight is 173.55 g/mol. InChIKey HIZPNTCIGGXRIF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.