1-Methyl-1H-pyrazole-5-acetonitrile - CAS 1071814-43-1
Catalog: |
BB001990 |
Product Name: |
1-Methyl-1H-pyrazole-5-acetonitrile |
CAS: |
1071814-43-1 |
Synonyms: |
2-(2-methyl-3-pyrazolyl)acetonitrile; 2-(2-methylpyrazol-3-yl)acetonitrile |
IUPAC Name: | 2-(2-methylpyrazol-3-yl)acetonitrile |
Description: | 1-Methyl-1H-pyrazole-5-acetonitrile (CAS# 1071814-43-1) is a useful research chemical. |
Molecular Weight: | 121.14 |
Molecular Formula: | C6H7N3 |
Canonical SMILES: | CN1C(=CC=N1)CC#N |
InChI: | InChI=1S/C6H7N3/c1-9-6(2-4-7)3-5-8-9/h3,5H,2H2,1H3 |
InChI Key: | PYXBEBZQSMLHTC-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD09859321 |
LogP: | 0.48618 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2020048828-A1 | 5-heteroaryl-3,9-diazaspiro[5.5]undecane compounds | 20180903 |
EP-3732210-A1 | Composition including multiple terminally functionalized polymers | 20171230 |
US-2020369791-A1 | Composition Including Multiple Terminally Functionalized Polymers | 20171230 |
EP-3458488-A1 | Process for producing functionalized polymers | 20160519 |
US-2019185598-A1 | Process For Producing Functionalized Polymers | 20160519 |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.063997236 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.063997236 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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