Pigment Red 4 , CAS No.2814-77-9

CAS: 2814-77-9 Cat. No.: P355209 Formula: C₁₆H₁₀ClN₃O₃ Peso molecolare: 327.72 Numero EC: 220-562-2 PubChem CID: 17778

Synonyms

SCHEMBL341193 | Vulcan Red R | 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol | Q27285609 | D&C Red No. 36 | EINECS 220-562-2 | Red No. 228 | 1-(2-chloro-4-nitrophenylazo)-2-naphthol | 1-[(2-Chloro-4-nitrophenyl)azo]-2-naphthol | CCRIS 4907 | Permane

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

SCHEMBL341193 | Vulcan Red R | 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol | Q27285609 | D&C Red No. 36 | EINECS 220-562-2 | Red No. 228 | 1-(2-chloro-4-nitrophenylazo)-2-naphthol | 1-[(2-Chloro-4-nitrophenyl)azo]-2-naphthol | CCRIS 4907 | Permane

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Pubchem Sid

488182411

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182411

Sorrisi canonici

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O

IUPAC Name

1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol

InChIKey

XLTMWFMRJZDFFD-UHFFFAOYSA-N

INCHI

1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H

Isomeri SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O

RTECS

QL3436000

PubChem CID

17778

Peso molecolare

327.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Nitrobenzenes Nitroaromatic compounds Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Azo compound - Organic nitro compound - C-nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 327.720 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 327.041 Da
• Monoisotopic Mass: 327.041 Da
• Topological Polar Surface Area: 90.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 456.000
• 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

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 2814-77-9, the molecular formula is C16H10ClN3O3, and the molecular weight is 327.72 g/mol. InChIKey XLTMWFMRJZDFFD-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.