o-Chloronitrobenzene - ≥99%(GC) , CAS No.88-73-3

CAS: 88-73-3 Cat. No.: C104683 Summenformel: C₆H₄ClNO₂ Molekulargewicht: 157.55 Beilstein Registry Number: 509273 EG-Nummer: 201-854-9

GRADE & PURITY ≥99%(GC)

Synonyms

Nitrochlorobenzene, liquid | AKOS000118963 | J-510174 | Nitrochlorobenzene | O-CHLORONITROBENZENE [MI] | AC-907/25014094 | CAS-88-73-3 | NCGC00258345-01 | 1-Chloro-2-nitrobenzene, analytical standard | 2-nitro chlorobenzene | 1-CHLORO-2-NITROBENZENE | 1-C

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Übersicht

Usually used in the synthesis of 1-hydroxybenzotriazole derivatives.

Specifications

Synonyme

Nitrochlorobenzene, liquid | AKOS000118963 | J-510174 | Nitrochlorobenzene | O-CHLORONITROBENZENE [MI] | AC-907/25014094 | CAS-88-73-3 | NCGC00258345-01 | 1-Chloro-2-nitrobenzene, analytical standard | 2-nitro chlorobenzene | 1-CHLORO-2-NITROBENZENE | 1-C

Spezifikationen & Reinheit

≥99%(GC)

Storage

Room temperature,Argon charged

Verschickt in

FedEx DG Service

Reinheit

≥99%(GC)

Namen und Kennungen

• Pubchem Sid: 504751208
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751208
• Kanonisches Lächeln: C1=CC=C(C(=C1)[N+](=O)[O-])Cl
• IUPAC Name: 1-chloro-2-nitrobenzene
• InChIKey: BFCFYVKQTRLZHA-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
• Isomere SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])Cl
• WGK Deutschland: 2
• RTECS: CZ0875000
• UN-Nummer: 1578
• Verpackungsgruppe: II
• Molekulargewicht: 157.55
• Beilstein: 509273
• Reaxy-Rn: 509273
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509273&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: C-nitro compound

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

Zugehörige Ziele (menschlich)

VCAM1 Tchem Vascular cell adhesion protein 1 (212 Activities)

Discover Target: VCAM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Salmonella typhimurium (15756 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Degree of Solubility in water: 0.59 g/l 25 °C; Very soluble in Acetone; Soluble in Toluene,Ether,Benzene,Alcohol
• Empfindlichkeit: Air Sensitive.
• Gefrierpunkt (°C): 32 °C
• Flammpunkt (°F): 258.8 °F - closed cup
• Flammpunkt (°C): 126 °C - closed cup
• Siedepunkt (°C): 245-246°C
• Schmelzpunkt (°C): 32-33°C
• Molekulargewicht: 157.550 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.993 Da
• Monoisotopic Mass: 156.993 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• 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