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

CAS: 1885-14-9 Cat. No.: P106536 Peso molecular: 156.57 Beilstein Registry Number: 606778 Número EC: 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

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice, FedEx DG Service

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC=C(C=C1)OC(=O)Cl
• WGK Alemania: 3
• RTECS: FG3850000
• Número ONU: 2746
• Grupo de embalaje: 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
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Miscible with N,N-dimethylformamide.
• Sensibilidad: Moisture sensitive,heat sensitive
• Índice de refracción: 1.51-1.512
• Punto de inflamación (°F): 80℃
• Punto de inflamación (°C): 80℃
• Punto de ebullición (°C): 74-75 °C/13 mmHg
• Punto de fusión (°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

Referencias

1. Lu Yan-Zhi, Gu An-Qi, Shen Tian-Lun, Sun Ji-Hong, Ling Jun.  (2022)  Clickable, Oxidation-Responsive and Enzyme-Degradable Polypeptide: Synthesis, Characterization and Side Chain Modification.  CHINESE JOURNAL OF POLYMER SCIENCE,  40  (11): (1360-1368).  [PMID:] [10.1007/s10118-022-2745-x]

2. Gaofei Wei, Liangfeng Huang, Yali Jiang, Yifeng Shen, Zeqian Huang, Yanjuan Huang, Xiaoqi Sun, Chunshun Zhao.  (2019)  Lenvatinib-zinc phthalocyanine conjugates as potential agents for enhancing synergistic therapy of multidrug-resistant cancer by glutathione depletion.  EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:30856406] [10.1016/j.ejmech.2019.02.065]

3. Liangfeng Huang, Gaofei Wei, Xiaoqi Sun, Yali Jiang, Zeqian Huang, Yanjuan Huang, Yifeng Shen, Xiaoyu Xu, Yunhui Liao, Chunshun Zhao.  (2018)  A tumor-targeted Ganetespib-zinc phthalocyanine conjugate for synergistic chemo-photodynamic therapy.  EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:29627724] [10.1016/j.ejmech.2018.03.077]

4. Lingzhi Wang, Yalei Gao, Yuying Chen, Zhenzhou Tang, Xiao Lin, Meng Bai, Pei Cao, Kai Liu.  (2025)  Discovery of Novel Pyridin-2-yl Urea Inhibitors Targeting ASK1 Kinase and Its Binding Mode by Absolute Protein–Ligand Binding Free Energy Calculations.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  26  (4): (1527).  [PMID:40003993] [10.3390/ijms26041527]

5. Ling Zheng, Farzad Seidi, Hongmiao Wu, Yang Huang, WeiBing Wu, Huining Xiao.  (2024)  Low swelling Alginate/Lignin network gels with redox responsiveness for sustained release of agricultural fungicide and Pb2+ complexation.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.112805]

6. Ruling Zhang, Kai Wang, Wenqing Xiao, Dalin Wu, Zhong Cao.  (2025)  Self-immolative fluorinated nanotheranostics amplifying 19F MRI signals for tumor-specific imaging and photodynamic therapy.  JOURNAL OF CONTROLLED RELEASE,      [PMID:40930162] [10.1016/j.jconrel.2025.114217]

7. Kai Wang, Ruling Zhang, Chunan Wang, Danfeng Peng, Zixuan Wu, Xiaolong Liang, Dalin Wu, Xintao Shuai, Shengjun Huo, Zhong Cao.  (2025)  Dysprosium(III)-Doped Nanotheranostic Agent for Ultra-High-Field MR Imaging-Guided Hepatocellular Carcinoma Therapy.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.5c00993]

8. Linying Yan, Masoumeh Kianfar, Yuqian Liu, Yang Huang, Huining Xiao, Farzad Seidi.  (2025)  Tailoring Injectable Chitosan-Cellulose Quaternary Hydrogels Through Room-Temperature Diels-Alder for Accelerating Wound Healing.  Advanced Healthcare Materials,      [PMID:41220294] [10.1002/adhm.202503481]