| CAS Number | 51998-05-1 |
| Catalog Number | AG00DZ24(AGN-PC-01WG3Z) |
| Chemical Name | 2-(Isocyanatomethyl)tetrahydrofuran |
| IUPAC Name | 2-(isocyanatomethyl)oxolane |
| InChI | InChI=1S/C6H9NO2/c8-5-7-4-6-2-1-3-9-6/h6H,1-4H2 |
| InChI Key | PCPJIDFJVZWDOX-UHFFFAOYSA-N |
| MDL Number | MFCD09901270 |
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.1412 |
| SMILES | C(=O)=NCC1CCCO1 |
| Synonyms | 2-(isocyanatomethyl)tetrahydrofuran,
51998-05-1,
2-(isocyanatomethyl)oxolane,
SCHEMBL155014,
CTK4J5241,
DTXSID00594131,
PCPJIDFJVZWDOX-UHFFFAOYSA-N,
ALBB-003057,
4822AE,
BBL037674,
MFCD09901270,
STK502577,
AKOS005171111,
MCULE-4246797711,
TR-036959,
BB 0253677,
FT-0678566,
Y-5958,
I14-30102,
F2147-0904,
C6H9NO2,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.143g/mol |
| Monoisotopic Mass | 127.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302-H312-H315-H319-H332-H335-H334-H227
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P233-P240-P241-P242-P243-P264-P270-P280-P301+P310-P303+P361+P353-P330-P370+P378-P403+P235-P405-P501
|
|
UN Code
|
UN 2206
|
Certificate of Analysis
Lot Number