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CAS No.: | 15760-35-7 |
---|---|
Name: | 3-Methylenecyclobutanecarbonitrile |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H7N |
Molecular Weight: | 93.1283 |
Synonyms: | 3-Methylene-1-cyanocyclobutane;3-Methylenecyanocyclobutane;3-Methylenecyclobutanecarbonitrile; |
Density: | 0.947 g/cm3 |
Melting Point: | 149-150 °C |
Boiling Point: | 171.688 °C at 760 mmHg |
Flash Point: | 51.846 °C |
Appearance: | Colorless liquid |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 36/37 |
Transport Information: | UN 3276 |
PSA: | 23.79000 |
LogP: | 1.47618 |
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The CAS register number of 3-Methylenecyclobutanecarbonitrile is 15760-35-7. It also can be called as Cyclobutanecarbonitrile,3-methylene- and the IUPAC name about this chemical is 3-methylidenecyclobutane-1-carbonitrile. The molecular formula about this chemical is C6H7N and the molecular weight is 93.13. It belongs to the Ring Systems.
Physical properties about 3-Methylenecyclobutanecarbonitrile are: (1)ACD/LogP: 0.79; (2)ACD/LogD (pH 5.5): 0.79; (3)ACD/LogD (pH 7.4): 0.79; (4)ACD/BCF (pH 5.5): 2.36; (5)ACD/BCF (pH 7.4): 2.36; (6)ACD/KOC (pH 5.5): 64.36; (7)ACD/KOC (pH 7.4): 64.36; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79Å2; (10)Index of Refraction: 1.465; (11)Molar Refractivity: 27.23 cm3; (12)Molar Volume: 98.3 cm3; (13)Polarizability: 10.79x10-24cm3; (14)Surface Tension: 31.6 dyne/cm; (15)Enthalpy of Vaporization: 40.81 kJ/mol; (16)Boiling Point: 171.7 °C at 760 mmHg; (17)Vapour Pressure: 1.38 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed, it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC1C\C(=C)C1
(2)InChI: InChI=1/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2
(3)InChIKey: ZRWMAMOBIQQJSA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2
(5)Std. InChIKey: ZRWMAMOBIQQJSA-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 250mg/kg (250mg/kg) | National Technical Information Service. Vol. AD603-561, |