structure of 4-Phenyloxane-4-carbonyl chloride

4-Phenyloxane-4-carbonyl chloride

CAS No.: 100119-45-7
M. Wt: 224.68300
M. Fa: C12H13ClO2
InChI Key: MNCVQLSKZIVCDW-UHFFFAOYSA-N

Names and Identifiers of 4-Phenyloxane-4-carbonyl chloride

CAS Number

100119-45-7

MDL Number

MFCD09903692

IUPAC Name

4-phenyloxane-4-carbonyl chloride

InChI

InChI=1S/C12H13ClO2/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

MNCVQLSKZIVCDW-UHFFFAOYSA-N

Canonical SMILES

C1COCCC1(C2=CC=CC=C2)C(=O)Cl

UNSPSC Code

12352100

Physical and chemical properties of 4-Phenyloxane-4-carbonyl chloride

Boiling Point

318.3ºC at 760mmHg

Density

1.206g/cm3

Exact Mass

224.06000

Flash Point

118.3ºC

Index of Refraction

1.54

LogP

2.50020

Molecular Formula

C12H13ClO2

Molecular Weight

224.68300

PSA

26.30000

Vapour Pressure

0.000364mmHg at 25°C

Safety Information of 4-Phenyloxane-4-carbonyl chloride

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Retrosynthesis analysis of 4-Phenyloxane-4-carbonyl chloride

  • Route#1

    Cas:140-29-4
    Cas:100119-45-7

  • Route#2

    Cas:1202-81-9
    Cas:100119-45-7

  • Route#3

    Cas:182491-21-0
    Cas:100119-45-7