1-(3-Bromophenyl)tetrazole - CAS 65697-41-8
Catalog: |
BB032793 |
Product Name: |
1-(3-Bromophenyl)tetrazole |
CAS: |
65697-41-8 |
Synonyms: |
1-(3-bromophenyl)tetrazole; 1-(3-bromophenyl)tetrazole |
IUPAC Name: | 1-(3-bromophenyl)tetrazole |
Description: | 1-(3-Bromophenyl)tetrazole (CAS# 65697-41-8) is a useful research chemical. |
Molecular Weight: | 225.05 |
Molecular Formula: | C7H5BrN4 |
Canonical SMILES: | C1=CC(=CC(=C1)Br)N2C=NN=N2 |
InChI: | InChI=1S/C7H5BrN4/c8-6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H |
InChI Key: | CRCFDMMRNPZPJY-UHFFFAOYSA-N |
LogP: | 1.42480 |
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 |
Publication Number | Title | Priority Date |
WO-2019136442-A1 | Cd16a binding agents and uses thereof | 20180108 |
CN-105801507-A | 1-(3-bromophenyl)-1H-tetrazole preparation method | 20160526 |
EP-3212616-A1 | Inhibitors of the renal outer medullary potassium channel | 20141030 |
US-2017275298-A1 | Inhibitors of the renal outer medullary potassium channel | 20141030 |
WO-2016065582-A1 | Inhibitors of the renal outer medullary potassium channel | 20141030 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.96976 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.96976 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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