4-Bromo-2-chlorobenzothiazole - CAS 182344-57-6
Catalog: |
BB076897 |
Product Name: |
4-Bromo-2-chlorobenzothiazole |
CAS: |
182344-57-6 |
Synonyms: |
4-bromo-2-chlorobenzo[d]thiazole; 2-Chloro-4-bromobenzothiazole; Benzothiazole, 4-bromo-2-chloro- |
IUPAC Name: | 4-bromo-2-chloro-1,3-benzothiazole |
Molecular Weight: | 248.53 |
Molecular Formula: | C7H3BrClNS |
Canonical SMILES: | C1=CC2=C(C(=C1)Br)N=C(S2)Cl |
InChI: | InChI=1S/C7H3BrClNS/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H |
InChI Key: | HWPFBBVUHHRYMR-UHFFFAOYSA-N |
Boiling Point: | 309.2±15.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.849±0.06 g/cm3 (Predicted) |
Storage: | Store at RT under inert atmosphere |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.88581 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.88581 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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