2-Bromo-5-phenyl-1,3,4-thiadiazole - CAS 53645-95-7
Catalog: |
BB028300 |
Product Name: |
2-Bromo-5-phenyl-1,3,4-thiadiazole |
CAS: |
53645-95-7 |
Synonyms: |
2-bromo-5-phenyl-1,3,4-thiadiazole |
IUPAC Name: | 2-bromo-5-phenyl-1,3,4-thiadiazole |
Description: | 2-Bromo-5-phenyl-1,3,4-thiadiazole (CAS# 53645-95-7) is a useful research chemical. |
Molecular Weight: | 241.11 |
Molecular Formula: | C8H5BrN2S |
Canonical SMILES: | C1=CC=C(C=C1)C2=NN=C(S2)Br |
InChI: | InChI=1S/C8H5BrN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H |
InChI Key: | NVQXBSUUWVZRCA-UHFFFAOYSA-N |
Boiling Point: | 345.925 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.642 g/cm3 |
MDL: | MFCD08436697 |
LogP: | 2.96760 |
GHS Hazard Statement: | H302 (97.5%): 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 |
US-2020308163-A1 | Compounds and compositions as modulators of tlr signaling | 20190326 |
US-2020165514-A1 | Tagged treatment polymers for monitoring antiscalant concentrations in industrial water systems | 20170731 |
WO-2019027609-A1 | MONITORING AND CONTROL OF DETERMINATION OF PROCESSED POLYMERS IN INDUSTRIAL WATER DISTRIBUTION SYSTEMS | 20170731 |
WO-2019027611-A1 | PROCESS POLYMERS MARKED FOR MONITORING CONCENTRATIONS OF ANTITARTER AGENTS IN INDUSTRIAL WATER DISTRIBUTION SYSTEMS | 20170731 |
US-2021078884-A1 | Monitoring and dosage control of tagged treatment polymers in industrial water systems | 20170731 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.93568 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.93568 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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