4-Chloro-3,5-dinitrobenzonitrile - ≥98% , CAS No.1930-72-9

CAS: 1930-72-9 Cat. No.: C153837 Formula: C₇H₂ClN₃O₄ Peso molecolare: 227.56 Numero EC: 217-686-4

GRADE & PURITY ≥98%

Synonyms

A813625 | 4-Chloro-3,5-dinitrobenzonitrile | 4-Chloro-3,5-dinitro-benzonitrile | 4-cyano-2,6-dinitrochlorobenzene | J-012496 | SY073888 | EINECS 217-686-4 | AS-81431 | BDBM50101935 | FT-0618058 | InChI=1/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

A813625 | 4-Chloro-3,5-dinitrobenzonitrile | 4-Chloro-3,5-dinitro-benzonitrile | 4-cyano-2,6-dinitrochlorobenzene | J-012496 | SY073888 | EINECS 217-686-4 | AS-81431 | BDBM50101935 | FT-0618058 | InChI=1/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488182195

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182195

Sorrisi canonici

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C#N

IUPAC Name

4-chloro-3,5-dinitrobenzonitrile

InChIKey

SCGDEDHSPCXGEC-UHFFFAOYSA-N

INCHI

1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H

Isomeri SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C#N

WGK Germania

3

RTECS

DI2990000

Peso molecolare

227.56

Reaxy-Rn

1990451

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1990451&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Benzonitriles Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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: 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 140 °C
• Peso molecolare: 227.560 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 226.973 Da
• Monoisotopic Mass: 226.973 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 303.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1930-72-9, the molecular formula is C7H2ClN3O4, and the molecular weight is 227.56 g/mol. InChIKey SCGDEDHSPCXGEC-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.