| CAS Number | 480439-24-5 |
| Catalog Number | AG003KWH(AGN-PC-0WQUAB) |
| Chemical Name | 4-Bromo-2-ethylphenyl isocyanate |
| IUPAC Name | 4-bromo-2-ethyl-1-isocyanatobenzene |
| InChI | InChI=1S/C9H8BrNO/c1-2-7-5-8(10)3-4-9(7)11-6-12/h3-5H,2H2,1H3 |
| InChI Key | FLIAQDYICDWTPW-UHFFFAOYSA-N |
| MDL Number | MFCD04039896 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.0699 |
| SMILES | O=C=NC1=CC=C(Br)C=C1CC |
| Synonyms | 480439-24-5,
4-Bromo-2-ethylphenyl isocyanate,
4-bromo-2-ethyl-1-isocyanatobenzene,
4-Bromo-2-ethylphenyl isocyanate, 95%,
ACMC-20amno,
AC1NAGC5,
SCHEMBL3843325,
4-bromo-2-ethylphenylisocyanate,
CTK8C5889,
DTXSID50403168,
ZINC2526512,
RT-009489,
4-bromo-2-ethyl-1-isocyanato-benzene,
CID4426496,
4-BROMO-2-ETHYLPHENYLISOCYANATE95,
Benzene, 4-bromo-2-ethyl-1-isocyanato- (9CI),
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.073g/mol |
| Monoisotopic Mass | 224.979g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H302-H312-H315-H319-H332-H334-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P280-P305+P351+P338-P342+P311
|
|
UN Code
|
UN 2206
|
Certificate of Analysis
Lot Number