1-[4-(Chloromethyl)phenyl]-1H-pyrazole - CAS 143426-52-2
Catalog: |
BB009602 |
Product Name: |
1-[4-(Chloromethyl)phenyl]-1H-pyrazole |
CAS: |
143426-52-2 |
Synonyms: |
1-[4-(chloromethyl)phenyl]pyrazole |
IUPAC Name: | 1-[4-(chloromethyl)phenyl]pyrazole |
Description: | 1-[4-(Chloromethyl)phenyl]-1H-pyrazole (CAS# 143426-52-2) is a useful research chemical. |
Molecular Weight: | 192.64 |
Molecular Formula: | C10H9ClN2 |
Canonical SMILES: | C1=CN(N=C1)C2=CC=C(C=C2)CCl |
InChI: | InChI=1S/C10H9ClN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2 |
InChI Key: | PAINSRDHMRYAGK-UHFFFAOYSA-N |
Boiling Point: | 303.9 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
MDL: | MFCD07366379 |
LogP: | 2.61110 |
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 |
US-2020131159-A1 | Positive allosteric modulators of the muscarinic acetylcholine receptor m1 | 20181024 |
US-2020131180-A1 | Positive allosteric modulators of the muscarinic acetylcholine receptor m1 | 20181024 |
EP-3858823-A1 | Condensed-cyclic compound | 20180928 |
WO-2020039027-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
US-2021213005-A1 | Pyrrolidine glycosidase inhibitors | 20180822 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.0454260 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.0454260 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Pyrazoles
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