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Benzenebutanoyl chloride

Benzenebutanoyl chloride structure

CAS No:
18496-54-3
Formula:
C10H11ClO
Chemical Name:
Benzenebutanoyl chloride
Synonyms:
Benzenebutanoyl chloride;Butyryl chloride,4-phenyl-;4-Phenylbutyryl chloride;4-Phenylbutanoyl chloride;γ-Phenylbutyric chloride;γ-Phenylbutyryl chloride;4-Phenylbutyric acid chloride
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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Benzenebutanoyl chloride Basic Attributes

Molecular Weight：

182.65

Exact Mass：

182.65

DSSTox ID：

DTXSID50472798

HScode：

2916399090

Characteristics

PSA：

17.1

XLogP3：

2.77470

Density：

1.115g/cm3

Melting Point：

96.5-99 °C @ Solvent: Ligroine, Dichloromethane

Boiling Point：

123-124 °C @ Press: 13 Torr

Flash Point：

115.4ºC

Refractive Index：

1.522

Water Solubility：

It reacts with water.

Vapor Pressure：

0.011mmHg at 25°C

Safety Information

Packing level：

Hazard category：

Transport codes：

3265

hazard class code：

safety instructions：

26-36/37/39-45

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:182.64
XLogP3:3.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:182.0498427
Monoisotopic Mass:182.0498427
Topological Polar Surface Area:17.1
Heavy Atom Count:12
Complexity:139
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes