3,3-Bis(chloromethyl)oxetane

Basic Information

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CAS Number

78-71-7

Molecular Formula

C5H8Cl2O

Molecular Weight

155.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

18.7°C

Boiling Point

198 °C

Density

1.29 g/mL at 25 °C

Flash Point

114 °C

Refractive Index

n20/D 1.486(lit.)

SMILES

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C1C(CO1)(CCl)CCl

InChI

InChI=1S/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2

InChIKey

CXURGFRDGROIKG-UHFFFAOYSA-N

LogP

1.4806

Topological Polar Surface Area

9.23 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

74.5

Safety Information

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Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

AKOS006221473
3,3-bischloromethyl oxetane
EINECS 201-136-5
FT-0614030
2,2-Bis(chloromethyl)-1,3-epoxypropane
ocetane, 3,3-bis(chloromethyl)-
A21048
N12TP81ATK
3.3-Bis(chloromethyl)oxetane
SY027139
DTXSID9058816
NSC-650608
B1395
OXETANE, 3,3-BIS(CHLOROMETHYL)-
OXETANE, 3,3-BIS(CHLOROMETHYL)- [HSDB]
3,3-bis-(chloromethyl)oxetane
3,3-Bis(chloromethyl)-oxetane
3,3-bis(chloromethyl)oxacyclobutane
PB18419
NSC650608
J-511058
NS00038001
BB 0262845
3,3-Dichloromethyloxycyclobutane
UNII-N12TP81ATK
NCI60_017598
Penton
BCP22380
Q4634045
78-71-7
3,3-bis(chloromethyl) oxetane

MDL Number

MFCD00027377

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 3,3-Bis(chloromethyl)oxetane (CAS: 78-71-7)?

3,3-Bis(chloromethyl)oxetane (CAS: 78-71-7) is a colorless liquid with a low boiling point and high reactivity. Its molecular weight is approximately 141.02 g/mol. This compound is moderately soluble in water but more soluble in organic solvents. It is highly reactive due to the presence of vicinal dichloromethyl groups.

How is 3,3-Bis(chloromethyl)oxetane (CAS: 78-71-7) typically synthesized?

3,3-Bis(chloromethyl)oxetane (CAS: 78-71-7) is typically synthesized via the chlorination of oxetane. This process involves the use of thionyl chloride or phosphorus tribromide as the chlorinating agent. The reaction is carried out in an inert atmosphere to prevent decomposition and requires careful control of temperature and concentration to achieve high yield and selectivity.

What industries use 3,3-Bis(chloromethyl)oxetane (CAS: 78-71-7)?

3,3-Bis(chloromethyl)oxetane (CAS: 78-71-7) finds applications in pharmaceuticals, where it is used as a building block for the synthesis of chiral amines. It is also utilized in the manufacturing of polymers, particularly for the production of polyurethanes. Additionally, this compound plays a role in the development of sensors and semiconductors due to its reactivity.

What precautions should be taken when handling 3,3-Bis(chloromethyl)oxetane (CAS: 78-71-7)?

When handling 3,3-Bis(chloromethyl)oxetane (CAS: 78-71-7), it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood due to its volatility and reactivity. In case of a spill, it should be handled according to the safety data sheet (SDS), which provides detailed instructions for spill cleanup and disposal.