2-(4-Bromophenyl)benzothiazole - CAS 19654-19-4
Catalog: |
BB015198 |
Product Name: |
2-(4-Bromophenyl)benzothiazole |
CAS: |
19654-19-4 |
Synonyms: |
2-(4-bromophenyl)-1,3-benzothiazole |
IUPAC Name: | 2-(4-bromophenyl)-1,3-benzothiazole |
Description: | 2-(4-Bromophenyl)benzothiazole (CAS# 19654-19-4) is a useful research chemical. |
Molecular Weight: | 290.18 |
Molecular Formula: | C13H8BrNS |
Canonical SMILES: | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)Br |
InChI: | InChI=1S/C13H8BrNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H |
InChI Key: | FQIRBKKYMJKENC-UHFFFAOYSA-N |
Boiling Point: | 397.9 °C at 760 mmHg |
Melting Point: | 134 °C |
Purity: | 95 % |
Density: | 1.545 g/cm3 |
Solubility: | Other solvents(Soluble) : Toluene |
Appearance: | White powder |
MDL: | MFCD00579199 |
LogP: | 4.72580 |
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]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P273, 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 |
Publication Number | Title | Priority Date |
CN-113372293-A | Preparation method of 2-phenylbenzothiazole derivative | 20210625 |
KR-102260561-B1 | Composition For Capping Layer of Organic Light Emitting Diode and Organic Light Emitting Diode Having The Same | 20210114 |
CN-112028853-A | Arylamine derivative and organic electroluminescent device thereof | 20200909 |
CN-112028853-B | Arylamine derivative and organic electroluminescent device thereof | 20200909 |
CN-112142686-A | Preparation method of heterogeneous sustainable catalytic benzothiazole derivative | 20200909 |
PMID | Publication Date | Title | Journal |
21684753 | 20110715 | Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking | Bioorganic & medicinal chemistry |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.95608 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.95608 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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Related Functional Groups
Benzoxazole/Benzothiazole
Oxazole/Thiazole
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