3-Chloropyrazole - CAS 14339-33-4
Catalog: |
BB009575 |
Product Name: |
3-Chloropyrazole |
CAS: |
14339-33-4 |
Synonyms: |
5-chloro-1H-pyrazole; 5-chloro-1H-pyrazole |
IUPAC Name: | 5-chloro-1H-pyrazole |
Description: | 3-Chloropyrazole (CAS# 14339-33-4) is used in preparation of aminoquinazolines as P2X3 inhibitors. |
Molecular Weight: | 102.52 |
Molecular Formula: | C3H3ClN2 |
Canonical SMILES: | C1=C(NN=C1)Cl |
InChI: | InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6) |
InChI Key: | IJPFBRONCJOTTA-UHFFFAOYSA-N |
LogP: | 1.06310 |
GHS Hazard Statement: | H302 (100%): 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 |
CN-112979627-A | Pyrazole bi-1, 2, 4-oxadiazole substituted benzamide compounds and preparation method and application thereof | 20210308 |
CN-112939977-A | Halogenated nitrogen heterocyclic matrine derivative and preparation method and application thereof | 20201127 |
CN-111253400-A | Halogenated pyrazole matrine derivative with insecticidal activity and preparation method and application thereof | 20200226 |
CN-111253400-B | Halogenated pyrazole matrine derivative with insecticidal activity and preparation method and application thereof | 20200226 |
CN-110845487-A | 3- (triazole biphenyl methoxyl) pyrazole amide compound containing isoxazole structure and preparation method and application thereof | 20191119 |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 101.9984758 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 101.9984758 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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