 Home > Encyclopedia > 4-Ethylbenzoyl chloride

4-Ethylbenzoyl chloride

4-Ethylbenzoyl chloride structure

CAS No:
16331-45-6
Formula:
C9H9ClO
Chemical Name:
4-Ethylbenzoyl chloride
Synonyms:
Benzoyl chloride,4-ethyl-;Benzoyl chloride,p-ethyl-;4-Ethylbenzoyl chloride;p-Ethylbenzoyl chloride
Categories:
Agrochemicals > Pesticide Intermediates

Request for Quotation

Description

clear light yellow to yellow liquid

4-Ethylbenzoyl chloride Basic Attributes

Molecular Weight：

168.62

Exact Mass：

168.62

BRN：

2206041

EC Number：

240-404-6

DSSTox ID：

DTXSID80167564

HScode：

29163900

Characteristics

PSA：

17.1

XLogP3：

3.20

Appearance：

Clear light yellow to yellow Liquid

Density：

1.147 g/mL at 25 °C(lit.)

Melting Point：

42 - 43ºC

Boiling Point：

118-119 °C @ Press: 13 Torr

Flash Point：

>230 °F

Refractive Index：

n 20/D 1.5479(lit.)

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-36/37

safety instructions：

26-27-28-36/37/39-45-25

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H301 (56.7%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 97 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Ethylbenzoyl chloride Use and Manufacturing

Methods of Manufacturing

The preparation method is to add toluene and 4-ethylbenzoic acid to the reaction kettle, warm up to 60 ℃, dropwise add sulfoxide, the dropwise addition is completed, heat up to a certain temperature, react for 2h, cool, distill off toluene under reduced pressure, Then the product was distilled off under reduced pressure.

Uses

Intermediates of Liquid Crystals

Computed Properties

Molecular Weight:168.62
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:168.0341926
Monoisotopic Mass:168.0341926
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Ethylbenzene

Thionyl chloride

Oxalyl chloride