Hexanoic acid, 6-isocyanato-, ethyl ester


Chemical Name: Hexanoic acid, 6-isocyanato-, ethyl ester
CAS Number: 5100-36-7
Product Number: AG003QDN(AGN-PC-0KUJ5P)
Synonyms:
MDL No:
Molecular Formula: C9H15NO3
Molecular Weight: 185.2203

Identification/Properties


Properties
BP:
253 °C(lit.)
Storage:
2-8℃;
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.439(lit.)
Computed Properties
Molecular Weight:
185.223g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
185.105g/mol
Monoisotopic Mass:
185.105g/mol
Topological Polar Surface Area:
55.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
185
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2206
Hazard Statements:
H301+H331-H315-H319-H335
Precautionary Statements:
P501-P261-P270-P210-P271-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P304+P340+P311-P403+P233-P403+P235-P405
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback