Butanoic acid,2-isocyano-3-methyl-, methyl ester supplier

Name
METHYL 2-ISOCYANO-3-METHYLBUTYRATE
EINECS
CAS No. 40846-66-0
Article Data9
CAS DataBase
Density 0.87
Solubility
Melting Point
Formula C₇H₁₁NO₂
Boiling Point 63 °C (6.0008 mmHg)
Molecular Weight 141.17
Flash Point
Transport Information
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;
PSA 26.30000
LogP 0.33400

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

Product Name

METHYL 2-ISOCYANO-3-METHYLBUTYRATE

Butanoic acid,2-isocyano-3-methyl-, methyl ester Specification

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