CAS No.78-71-7,3,3-Dichloromethyloxolane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78-71-7
Name:	3,3-Dichloromethyloxolane
Article Data:	12

Formula:	C₅H₈Cl₂O
Molecular Weight:	155.024
Synonyms:	3,3-Bis(chloromethyl)-1-oxacyclobutane;3,3-Bis(chloromethyl)oxacyclobutane;NSC 650608;
EINECS:	201-136-5
Density:	1.236 g/cm³
Boiling Point:	208.9 °C at 760 mmHg
Flash Point:	115.8 °C
Hazard Symbols:	T+
Risk Codes:	22-26-36/37/38
Safety:	23-26-36/37/39-45
PSA:	9.23000
LogP:	1.48060

Synthetic route

: 813-99-0
3-chloro-(2,2-chloromethyl)propan-1-ol

: 78-71-7
3,3-bis(chloromethyl)oxetane

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 72h; Heating / reflux;	80%
With potassium hydroxide In ethanol for 0.5h; Reflux;	74%
With potassium hydroxide

: 13103-49-6
acetic acid-(3-chloro-2,2-bis-chloromethyl-propyl ester)

: 78-71-7
3,3-bis(chloromethyl)oxetane

Conditions

Conditions	Yield
With potassium hydroxide; benzene
With alkaline solution

: 115-77-5
Pentaerythritol

copper: copper

: 78-71-7
3,3-bis(chloromethyl)oxetane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SOCl2, pyridine / 14 h / Heating 2: KOH / ethanol / 5 h / Heating View Scheme

: 115-77-5
Pentaerythritol

: 78-71-7
3,3-bis(chloromethyl)oxetane

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: concentrated aqueous hydrochloric acid / 185 °C 2: ethanolic KOH-solution View Scheme
Multi-step reaction with 2 steps 1: water; hydrochloric acid / 185 °C 2: ethanolic KOH-solution View Scheme
Multi-step reaction with 2 steps 1: pyridine; thionyl chloride 2: ethanolic NaOH-solution View Scheme
Multi-step reaction with 2 steps 1: pyridine; thionyl chloride / 22 h / 65 - 130 °C 2: potassium hydroxide / ethanol / 0.5 h / Reflux View Scheme

: 78-71-7
3,3-bis(chloromethyl)oxetane

: 17607-20-4
3,3-bis(azidomethyl)-oxetane

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide In water	99.5%
With sodium azide In N,N-dimethyl-formamide at 90 - 100℃; for 2h;	76%
With sodium azide In N,N-dimethyl-formamide at 90 - 100℃; for 2h;	76%
With sodium azide In dimethyl sulfoxide at 65℃;

: 78-71-7
3,3-bis(chloromethyl)oxetane

: 2857-97-8
trimethylsilyl bromide

: 79271-75-3
2,2-Bis-3-bromo-1-trimethylsiloxypropane

Conditions

Conditions	Yield
at 100℃; for 2h;	93%

: 78-71-7
3,3-bis(chloromethyl)oxetane

paraformaldehyde: paraformaldehyde

: 61729-08-6
5,5-bis(chloromethyl)-1,3-dioxane

Conditions

Conditions	Yield
With sulfuric acid In toluene at 100℃; for 4.5h;	84%

: 78-71-7
3,3-bis(chloromethyl)oxetane

: 124-41-4
sodium methylate

: 10404-84-9
3,3-di(methoxymethyl)oxetane

Conditions

Conditions	Yield
In methanol at 80℃; for 240h;	82%

: 78-71-7
3,3-bis(chloromethyl)oxetane

: 6325-93-5
p-nitrobenzenesulfonamide

: C11H12N2O5S

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 80℃; for 18h;	82%

: 78-71-7
3,3-bis(chloromethyl)oxetane

: 647-42-7
1H,1H,2H,2H-tridecafluoro-n-octanol

A: 3-chloromethyl-3-(1,1,2,2-tetrahydro-perfluoro-octyloxy)methyl oxetane

B: 3,3-Bis-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-octyloxymethyl)-oxetane

Conditions

Conditions	Yield
With sodium hydroxide; tetra(n-butyl)ammonium hydrogensulfate at 70℃; for 10h;	A 80% B 16%

...Expand

Raw Materials

13103-49-6

115-77-5

813-99-0

Downstream Products

338-61-4

822-48-0

Total:84 Page 1 of 3 1 2 3 Next>>

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Specification

The 3,3-Bis(chloromethyl)oxetane, with the CAS registry number 78-71-7, is also known as Oxetane, 3,3-bis-(chloromethyl). Its EINECS registry number is 201-136-5. This chemical's molecular formula is C₅H₈Cl₂O and molecular weight is 155.02. Its systematic name is called 3,3-bis(chloromethyl)oxetane.

Physical properties of 3,3-Bis(chloromethyl)oxetane: (1)ACD/LogP: 0.85; (2)ACD/LogD (pH 5.5): 0.85; (3)ACD/LogD (pH 7.4): 0.85; (4)ACD/BCF (pH 5.5): 2.61; (5)ACD/BCF (pH 7.4): 2.61; (6)ACD/KOC (pH 5.5): 69.2; (7)ACD/KOC (pH 7.4): 69.2; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.461; (11)Molar Refractivity: 34.43 cm³; (12)Molar Volume: 125.3 cm³; (13)Surface Tension: 39.7 dyne/cm; (14)Density: 1.236 g/cm³; (15)Flash Point: 115.8 °C; (16)Enthalpy of Vaporization: 42.7 kJ/mol; (17)Boiling Point: 208.9 °C at 760 mmHg; (18)Vapour Pressure: 0.301 mmHg at 25°C.

Uses of 3,3-Bis(chloromethyl)oxetane: it can be used to produce 3,3-bis-iodomethyl-oxetane. This reaction will need solvent butanone and sodium iodide.

When you are using this chemical, please be cautious about it as the following:
This chemical that at very low levels can cause damage to health. It is harmful if swallowed. It is very toxic by inhalation. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC1(CCl)COC1
(2)InChI: InChI=1/C5H8Cl2O/c6-1-5(2-7)3-8-4-5/h1-4H2
(3)InChIKey: CXURGFRDGROIKG-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LC	inhalation	> 250mg/m³/1H (250mg/m³)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FOOD INTAKE (ANIMAL)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 8(7), Pg. 31, 1964.
mouse	LC50	inhalation	200mg/m³/2H (200mg/m³)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 8(7), Pg. 31, 1964.
mouse	LD50	oral	300mg/kg (300mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Farmakologiya i Toksikologiya Vol. 5, Pg. 157, 1970.
mouse	LD50	unreported	545mg/kg (545mg/kg)		Russian Pharmacology and Toxicology Vol. 48, Pg. 67, 1985.
rat	LD50	oral	600mg/kg (600mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Farmakologiya i Toksikologiya Vol. 5, Pg. 157, 1970.