6-bromo-1,3-benzothiazole - CAS 53218-26-1
Catalog: |
BB028087 |
Product Name: |
6-bromo-1,3-benzothiazole |
CAS: |
53218-26-1 |
Synonyms: |
6-bromo-1,3-benzothiazole; 6-bromo-1,3-benzothiazole |
IUPAC Name: | 6-bromo-1,3-benzothiazole |
Description: | 6-bromo-1,3-benzothiazole (CAS# 53218-26-1) is a useful research chemical. |
Molecular Weight: | 214.08 |
Molecular Formula: | C7H4BrNS |
Canonical SMILES: | C1=CC2=C(C=C1Br)SC=N2 |
InChI: | InChI=1S/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H |
InChI Key: | YJOUISWKEOXIMC-UHFFFAOYSA-N |
Boiling Point: | 291.493 °C at 760 mmHg |
Melting Point: | 52 °C |
Purity: | 98 % |
Density: | 1.748 g/cm3 |
MDL: | MFCD04115372 |
LogP: | 3.05880 |
GHS Hazard Statement: | H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113149978-A | Intermediate compound, preparation method and application thereof | 20210204 |
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Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.92478 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.92478 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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