4-Nitrophenyl Chloroformate - ≥98%(T) , CAS No.7693-46-1

CAS: 7693-46-1 Cat. No.: N159046 Peso molecular: 201.56 Beilstein Registry Number: 518127 Número EC: 231-706-9

GRADE & PURITY ≥98%(T)

Synonyms

SCHEMBL14520259 | AKOS024438096 | (4-nitrophenyl)chloroformate | 4-(nitro)phenyl chloroformate | 4-nitrophenyl chioroformate | L-Histidine, monohydrochloride, monohydrate | 4-nitrophenoxycarbonyl chloride | 4-[2-(dimethylamino)ethyl]phenol;hydrochloride |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Usually used in the preparation of poly(oxyethylene) modified dextrans,and also used to synthesize a cleavable, heterobifunctional cross-linker for reversible conjugation of amines to thiol-modified DNA.

Specifications

Sinónimos

SCHEMBL14520259 | AKOS024438096 | (4-nitrophenyl)chloroformate | 4-(nitro)phenyl chloroformate | 4-nitrophenyl chioroformate | L-Histidine, monohydrochloride, monohydrate | 4-nitrophenoxycarbonyl chloride | 4-[2-(dimethylamino)ethyl]phenol;hydrochloride |

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 504755580
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755580
• Sonrisas canónicas: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl
• IUPAC Name: (4-nitrophenyl) carbonochloridate
• InChIKey: NXLNNXIXOYSCMB-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClNO4/c8-7(10)13-6-3-1-5(2-4-6)9(11)12/h1-4H
• Isómeros SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl
• WGK Alemania: 3
• Número ONU: 2923
• Grupo de embalaje: II
• Peso molecular: 201.56
• Beilstein: 518127
• Reaxy-Rn: 518127
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=518127&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenoxy compounds Nitroaromatic compounds Organic carbonic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Phenoxy compound - Nitroaromatic compound - C-nitro compound - Carbonic acid derivative - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in acetone, chloroform, acetone, toluene and benzene.
• Sensibilidad: Moisture ＆heat sensitive
• Punto de inflamación (°F): 230°F
• Punto de inflamación (°C): >110℃
• Punto de ebullición (°C): 159-162°/19mm
• Punto de fusión (°C): 75-82℃
• Peso molecular: 201.560 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.983 Da
• Monoisotopic Mass: 200.983 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 207.000
• 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

Referencias

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