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

CAS: 1885-14-9 Cat. No.: P106536 分子式: C₇H₅ClO₂ 分子量: 156.57 Beilstein Registry Number: 606778 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508814421

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

RTECS

FG3850000

UN番号

2746

包装グループ

II

分子量

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
    • 分類 Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Miscible with N,N-dimethylformamide.
• 感度: Moisture sensitive,heat sensitive
• 屈折率: 1.51-1.512
• 引火点（°F）: 80℃
• 引火点（°C）: 80℃
• 沸点（°C）: 74-75 °C/13 mmHg
• 融点（°C）: -28°C
• 分子量: 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