4-Iodo-1-methyl-1H-pyrazole - CAS 39806-90-1
Catalog: |
BB024140 |
Product Name: |
4-Iodo-1-methyl-1H-pyrazole |
CAS: |
39806-90-1 |
Synonyms: |
4-iodo-1-methylpyrazole |
IUPAC Name: | 4-iodo-1-methylpyrazole |
Description: | 4-Iodo-1-methyl-1H-pyrazole (CAS# 39806-90-1) is a useful research chemical. |
Molecular Weight: | 208.00 |
Molecular Formula: | C4H5IN2 |
Canonical SMILES: | CN1C=C(C=N1)I |
InChI: | InChI=1S/C4H5IN2/c1-7-3-4(5)2-6-7/h2-3H,1H3 |
InChI Key: | RSDRDHPLXWMTRJ-UHFFFAOYSA-N |
Boiling Point: | 226.9 ℃ at 760 mmHg |
Melting Point: | 61-67 ℃ |
Purity: | 96.0 % (GC) |
Density: | 2.07 g/cm3 |
Appearance: | Off-white semi-transparent crystals or |
MDL: | MFCD05663860 |
LogP: | 1.02470 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113336751-A | High-efficiency salt-induced kinase inhibitor and preparation method thereof | 20210531 |
WO-2021207310-A1 | Menin inhibitors and methods of use for treating cancer | 20200408 |
CN-113461753-A | 2-alkynyl mannose derivative and application thereof | 20200331 |
WO-2021197363-A1 | 2-alkynyl mannose derivative and application thereof | 20200331 |
WO-2021163727-A1 | Pikfyve kinase inhibitors | 20200211 |
Complexity: | 66.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.94975 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.94975 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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Pyrazoles
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