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Cas Database |
| Name |
Butanoic acid,2-isocyano-3-methyl-, methyl ester |
EINECS | N/A |
| CAS No. | 40846-66-0 | Density | 0.87 |
| PSA | 26.30000 | LogP | 0.33400 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H11NO2 | Boiling Point | 63 °C (6.0008 mmHg) |
| Molecular Weight | 141.17 | Flash Point | N/A |
| Transport Information | N/A | Appearance | clear yellowish liquid |
| Safety | 36/37/39-26 | Risk Codes | 36/37/38-20/21/22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn
|
| Synonyms |
Butyricacid, 2-isocyano-3-methyl-, methyl ester (7CI);Methyl2-isocyano-3-methylbutanoate;Methyl 2-isocyanoisovalerate; |
Article Data | 9 |
Butanoic acid,2-isocyano-3-methyl-, methyl ester Specification
The Butanoic acid,2-isocyano-3-methyl-, methyl ester is an organic compound with the formula C7H11NO2. The systematic name of this chemical is methyl 2-isocyano-3-methylbutanoate. With the CAS registry number 40846-66-0, it is also named as Methyl-2-isocyanoisovalerate. Besides, it should be stored in a closed cool and dry place.
Physical properties about Butanoic acid,2-isocyano-3-methyl-, methyl ester are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 30.66 Å2.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [C-]#[N+]C(C(=O)OC)C(C)C
(2)InChI: InChI=1/C7H11NO2/c1-5(2)6(8-3)7(9)10-4/h5-6H,1-2,4H3
(3)InChIKey: WOTFMTYQJNZRLN-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H11NO2/c1-5(2)6(8-3)7(9)10-4/h5-6H,1-2,4H3
(5)Std. InChIKey: WOTFMTYQJNZRLN-UHFFFAOYSA-N
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