4-Bromo-2-(5-tetrazolyl)aniline - CAS 27398-52-3
Catalog: |
BB019559 |
Product Name: |
4-Bromo-2-(5-tetrazolyl)aniline |
CAS: |
27398-52-3 |
Synonyms: |
4-bromo-2-(2H-tetrazol-5-yl)aniline; 4-bromo-2-(2H-tetrazol-5-yl)aniline |
IUPAC Name: | 4-bromo-2-(2H-tetrazol-5-yl)aniline |
Description: | 4-Bromo-2-(5-tetrazolyl)aniline (CAS# 27398-52-3) is a useful research chemical. |
Molecular Weight: | 240.06 |
Molecular Formula: | C7H6BrN5 |
Canonical SMILES: | C1=CC(=C(C=C1Br)C2=NNN=N2)N |
InChI: | InChI=1S/C7H6BrN5/c8-4-1-2-6(9)5(3-4)7-10-12-13-11-7/h1-3H,9H2,(H,10,11,12,13) |
InChI Key: | CATSHJCKVONEFX-UHFFFAOYSA-N |
LogP: | 1.79260 |
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-2019113236-A1 | Benzocarbonyl compounds | 20171206 |
EP-3720430-A1 | Benzocarbonyl compounds | 20171206 |
AU-2018263921-A1 | Non-fused tricyclic compounds | 20170503 |
CN-111132673-A | Non-fused tricyclic compounds | 20170503 |
EP-3618818-A1 | Non-fused tricyclic compounds | 20170503 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.98066 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.98066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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