CAS No.4351-77-3,(3-(Chloromethyl)oxetan-3-yl)methanol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4351-77-3
Name:	(3-(Chloromethyl)oxetan-3-yl)methanol
Article Data:	6

Formula:	C₅H₉ClO₂
Molecular Weight:	136.58
Synonyms:	(3-chloromethyl-oxetan-3-yl)-methanol;3-chloromethyl-3-hydroxymethyl-oxetane;3-chloromethyl-2-methyl-pyridine 1-oxide;3-Chlormethyl-3-hydroxymethyl-oxetan;3-chloromethyl-2-methylpyridine-N-oxide;3-(hydroxymethyl)-3-chloromethyl oxetane;Pyridine,3-(chloromethyl)-2-methyl-,1-oxide;
Density:	1.225 g/cm³
Boiling Point:	221.4 °C at 760 mmHg
Flash Point:	87.7 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	29.46000
LogP:	0.23410

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Specification

This product is an organic compound with the formula C₅H₉ClO₂. The systematic name of this chemical is [3-(chloromethyl)oxetan-3-yl]methanol. With the CAS registry number 4351-77-3, it is also named as Oxetane, 3-chloromethyl-3-hydroxymethyl. In addition, the molecular weight is 136.58.

The other characteristics of (3-(Chloromethyl)oxetan-3-yl)methanol can be summarized as: (1)ACD/LogP: -0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.52; (4)ACD/LogD (pH 7.4): -0.52; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.34; (8)ACD/KOC (pH 7.4): 12.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 31.11 cm³; (15)Molar Volume: 111.4 cm³; (16)Polarizability: 12.33×10^-24 cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.225 g/cm³; (19)Flash Point: 87.7 °C; (20)Enthalpy of Vaporization: 53.23 kJ/mol; (21)Boiling Point: 221.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0222 mmHg at 25°C.

Uses of (3-(Chloromethyl)oxetan-3-yl)methanol: It can be used to produce 3-chloromethyl-3-nitrooxymethyl-oxetane. This reaction needs reagent N₂O₅ and solvent CHCl₃ at temperature of -10-0 °C. The reaction time is 1 hours. The yield is 76%.

People can use the following data to convert to the molecule structure.
1. SMILES:ClCC1(CO)COC1
2. InChI:InChI=1/C5H9ClO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
3. InChIKey:BIZNEDGOZPNEPL-UHFFFAOYAS
4. Std. InChI:InChI=1S/C5H9ClO2/c6-1-5(2-7)3-8-4-5/h7H,1-4H2
5. Std. InChIKey:BIZNEDGOZPNEPL-UHFFFAOYSA-N