Phenyl chloroformate - ≥98% , CAS No.1885-14-9

CAS: 1885-14-9 Cat. No.: P106536 Fórmula: C₇H₅ClO₂ Peso molecular: 156.57 Beilstein Registry Number: 606778 Número CE: 217-547-8

GRADE & PURITY ≥98%

Synonyms

Carbonochloridic acid, phenyl ester | Phenyl chloroformat | PHENYL CHLOROFORMATE | chloroformic acid-phenyl ester | NCGC00357059-01 | Tox21_303763 | ClCO2Ph | NSC210946 | NSC-210946 | PHENYLCHLOROFORMIC ACID | BCP14449 | DTXSID9044403 | BBL011406 | Carbon

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Sinónimos

Carbonochloridic acid, phenyl ester | Phenyl chloroformat | PHENYL CHLOROFORMATE | chloroformic acid-phenyl ester | NCGC00357059-01 | Tox21_303763 | ClCO2Ph | NSC210946 | NSC-210946 | PHENYLCHLOROFORMIC ACID | BCP14449 | DTXSID9044403 | BBL011406 | Carbon

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508814421

Sorrisos canónicos

C1=CC=C(C=C1)OC(=O)Cl

IUPAC Name

phenyl carbonochloridate

InChIKey

AHWALFGBDFAJAI-UHFFFAOYSA-N

INCHI

1S/C7H5ClO2/c8-7(9)10-6-4-2-1-3-5-6/h1-5H

SMILES isoméricas

C1=CC=C(C=C1)OC(=O)Cl

WGK Alemanha

3

RTECS

FG3850000

Número UN

2746

Grupo de embalagem

II

Peso molecular

156.57

Beilstein

606778

Reaxy-Rn

606778

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606778&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Organic carbonic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

Propriedades químicas e físicas

• Solubilidade: Miscible with N,N-dimethylformamide.
• Sensibilidade: Moisture sensitive,heat sensitive
• Índice de refração: 1.51-1.512
• Ponto de inflamação (°F): 80℃
• Ponto de inflamação (°C): 80℃
• Ponto de ebulição (°C): 74-75 °C/13 mmHg
• Ponto de fusão (°C): -28°C
• Peso molecular: 156.560 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 155.998 Da
• Monoisotopic Mass: 155.998 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• 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