2-(Bromomethyl)thiazole-4-carbonitrile - CAS 454483-81-9
Catalog: |
BB071213 |
Product Name: |
2-(Bromomethyl)thiazole-4-carbonitrile |
CAS: |
454483-81-9 |
Synonyms: |
2-(bromomethyl)-1,3-thiazole-4-carbonitrile; 4-Thiazolecarbonitrile, 2-(bromomethyl)-; 2-Bromomethylthiazole-4-carbonitrile; 2-Bromomethyl-thiazole-4-carbonitrile; 2-(BROMOMETHYL)THIAZOLE-4-CARBONITRILE |
IUPAC Name: | 2-(bromomethyl)-1,3-thiazole-4-carbonitrile |
Molecular Weight: | 203.06 |
Molecular Formula: | C5H3BrN2S |
Canonical SMILES: | C1=C(N=C(S1)CBr)C#N |
InChI: | InChI=1S/C5H3BrN2S/c6-1-5-8-4(2-7)3-9-5/h3H,1H2 |
InChI Key: | BVHJWNRMSBGEKD-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.92003 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.92003 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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