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Piperonyl chloride

Piperonyl chloride structure

CAS No:
20850-43-5
Formula:
C8H7ClO2
Chemical Name:
Piperonyl chloride
Synonyms:
1,3-Benzodioxole,5-(chloromethyl)-;Toluene,α-chloro-3,4-(methylenedioxy)-;5-(Chloromethyl)-1,3-benzodioxole;Piperonyl chloride;3,4-(Methylenedioxy)benzyl chloride;4-Chloromethyl-1,2-methylenedioxybenzene;Benzo[1,3]dioxol-5-ylmethyl chloride;NSC 127686;5-(Chloromethyl)benzodioxole
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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Description

Clear Yellow Solution

Piperonyl chloride Basic Attributes

Molecular Weight：

170.59

Exact Mass：

170.59

EC Number：

244-081-2

NSC Number：

127686

DSSTox ID：

DTXSID0066660

HScode：

2932999099

Characteristics

PSA：

18.5

XLogP3：

2.35

Appearance：

Colorless liquid.

Density：

1.3±0.1 g/cm3

Melting Point：

20.5 °C

Boiling Point：

134-135 °C @ Press: 14 Torr

Flash Point：

115.9±13.9 °C

Refractive Index：

1.571

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Store under an inert atmosphere.

Vapor Pressure：

0.931mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, MOISTURE SENSITIVE, LACHRYMATOR

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Hazard note：

Irritant/Lachrymatory/Moisture Sensitive

Piperonyl chloride Use and Manufacturing

Methods of Manufacturing

It is cyclized with catechol and dichloromethane under alkaline conditions to form a pepper ring, which is then reacted with paraformaldehyde and hydrochloric acid and chloromethylated to produce the product.

Uses

Piperonyl Chloride is used as a reagent in the synthesis of anti-proliferative hydroxyguanidine compounds.

Manufacturing Info：

1,3-Benzodioxole, 5-(chloromethyl)-: INACTIVE

Computed Properties

Molecular Weight:170.59
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:170.0134572
Monoisotopic Mass:170.0134572
Topological Polar Surface Area:18.5
Heavy Atom Count:11
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1,3,5-Trioxane

Catechol

Formaldehyde

Benzene

Hydrochloric acid