5-Amino-3-(2-bromophenyl)isoxazole - CAS 119162-51-5
Catalog: |
BB004421 |
Product Name: |
5-Amino-3-(2-bromophenyl)isoxazole |
CAS: |
119162-51-5 |
Synonyms: |
3-(2-bromophenyl)-5-isoxazolamine; 3-(2-bromophenyl)-1,2-oxazol-5-amine |
IUPAC Name: | 3-(2-bromophenyl)-1,2-oxazol-5-amine |
Description: | 5-Amino-3-(2-bromophenyl)isoxazole (CAS# 119162-51-5) is a useful research chemical. |
Molecular Weight: | 239.07 |
Molecular Formula: | C9H7BrN2O |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NOC(=C2)N)Br |
InChI: | InChI=1S/C9H7BrN2O/c10-7-4-2-1-3-6(7)8-5-9(11)13-12-8/h1-5H,11H2 |
InChI Key: | IWZPUSFAARHNRW-UHFFFAOYSA-N |
LogP: | 3.26750 |
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-2020002587-A1 | Compounds | 20180628 |
AU-2019294533-A1 | Compounds | 20180628 |
TW-202012379-A | Chemical compound | 20180628 |
EP-3813813-A1 | Compounds | 20180628 |
US-2021213004-A1 | Compounds | 20180628 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.97418 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.97418 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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Amines and Anilines
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