4-Bromo-1-isobutylpyrazole - CAS 1184394-32-8
Catalog: |
BB004103 |
Product Name: |
4-Bromo-1-isobutylpyrazole |
CAS: |
1184394-32-8 |
Synonyms: |
4-bromo-1-(2-methylpropyl)pyrazole |
IUPAC Name: | 4-bromo-1-(2-methylpropyl)pyrazole |
Description: | 4-Bromo-1-isobutylpyrazole (CAS# 1184394-32-8) is a useful research chemical. |
Molecular Weight: | 203.08 |
Molecular Formula: | C7H11BrN2 |
Canonical SMILES: | CC(C)CN1C=C(C=N1)Br |
InChI: | InChI=1S/C7H11BrN2/c1-6(2)4-10-5-7(8)3-9-10/h3,5-6H,4H2,1-2H3 |
InChI Key: | HDXYNFLYDLDONH-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD11520678 |
LogP: | 2.30160 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2015341913-A1 | Pharmaceutical compound | 20141103 |
EP-3215156-A2 | Pharmaceutical compound | 20141103 |
JP-2017533957-A | Pharmaceutical compounds | 20141103 |
JP-6701214-B2 | Pharmaceutical compound | 20141103 |
KR-20170081204-A | Pharmaceutical compound | 20141103 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.01056 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.01056 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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