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Benzenepropanoyl chloride

Benzenepropanoyl chloride structure

Benzenepropanoyl chloride 

structure
  • CAS No:

    645-45-4

  • Formula:

    C9H9ClO

  • Chemical Name:

    Benzenepropanoyl chloride

  • Synonyms:

    Benzenepropanoyl chloride;Hydrocinnamoyl chloride;β-Phenylpropionyl chloride;3-Phenylpropionyl chloride;β-Phenylpropanoyl chloride;3-Phenylpropanoyl chloride;Dihydrocinnamoyl chloride;Hydrocinnamyl chloride;3-Phenylpropionic acid chloride;NSC 2854;3-Phenylpropanoic acid chloride;3-Phenylpropionoyl chloride

  • Categories:

    Inorganic Chemistry  >  Inorganic Salts

Description

clear colorless to light yellow liquid

Benzenepropanoyl chloride Basic Attributes

168.62

168.62

742586

211-443-6

2854

DTXSID4060947

29163900

Characteristics

17.1

2.8

deep greenish-yellow Liquid

1.1±0.1 g/cm3

102-104 °C @ Solvent: Ligroine, Dichloromethane

112 °C @ Press: 5 Torr

227 °F

1.528

soluble in water (reacts), and ether.

-20°C

Safety Information

II

8

UN 3265 8/PG 2

3

20-34-29-14

26-36/37/39-45-8-30-23

MW5652395

C

Stable under normal shipping and handling conditions. However, may decompose if exposed to moist air or water.

P261-P280-P305 + P351 + P338-P310

H314-H331

|Danger|H314 (95.92%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzenepropanoyl chloride Use and Manufacturing

Uses

3-Phenylpropionyl Chloride is a derivative of phenylpropionic acid used in the preparation of a wide range of pharmaceutical compounds such as antivirals and antitumor agents.

Benzenepropanoyl chloride: ACTIVE

Computed Properties

Molecular Weight:168.62
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:168.0341926
Monoisotopic Mass:168.0341926
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:128
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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