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Name |
Oxetane,3,3-bis(iodomethyl)- |
EINECS | N/A |
CAS No. | 2402-82-6 | Density | 2.409 g/cm3 |
PSA | 9.23000 | LogP | 1.87300 |
Solubility | N/A | Melting Point |
60℃ |
Formula | C5H8I2O | Boiling Point | 293.4 °C at 760 mmHg |
Molecular Weight | 337.9254 | Flash Point | 131.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3,3-Bis(iodomethyl)oxetane;NSC 281645; |
Article Data | 7 |
The Oxetane,3,3-bis(iodomethyl)-, with the CAS registry number 2402-82-6, is also known as 3,3-Di(iodomethyl)oxetane. This chemical's molecular formula is C5H8I2O and molecular weight is 337.92536. Its IUPAC name is called 3,3-bis(iodomethyl)oxetane. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties of Oxetane,3,3-bis(iodomethyl)-: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.18; (3)ACD/LogD (pH 7.4): 2.18; (4)ACD/BCF (pH 5.5): 26.8; (5)ACD/BCF (pH 7.4): 26.8; (6)ACD/KOC (pH 5.5): 366.36; (7)ACD/KOC (pH 7.4): 366.36; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.642; (11)Molar Refractivity: 50.67 cm3; (12)Molar Volume: 140.2 cm3; (13)Surface Tension: 57.2 dyne/cm; (14)Density: 2.409 g/cm3; (15)Flash Point: 131.2 °C; (16)Enthalpy of Vaporization: 51.16 kJ/mol; (17)Boiling Point: 293.4 °C at 760 mmHg; (18)Vapour Pressure: 0.00303 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(CO1)(CI)CI
(2)InChI: InChI=1S/C5H8I2O/c6-1-5(2-7)3-8-4-5/h1-4H2
(3)InChIKey: JRMFTYIUHNPQQY-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | unreported | 1150mg/kg (1150mg/kg) | Russian Pharmacology and Toxicology Vol. 48, Pg. 67, 1985. |