Benzenepropanoyl chloride
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Benzenepropanoyl chloride
structure -
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CAS No:
645-45-4
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Formula:
C9H9ClO
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Chemical Name:
Benzenepropanoyl chloride
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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
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CAS No:
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
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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