3-Chloro-4-methyl-4H-1,2,4-triazole - CAS 56616-87-6
Catalog: |
BB029424 |
Product Name: |
3-Chloro-4-methyl-4H-1,2,4-triazole |
CAS: |
56616-87-6 |
Synonyms: |
3-chloro-4-methyl-1,2,4-triazole; 3-chloro-4-methyl-1,2,4-triazole |
IUPAC Name: | 3-chloro-4-methyl-1,2,4-triazole |
Description: | 3-Chloro-4-methyl-4H-1,2,4-triazole (CAS# 56616-87-6) is a useful research chemical. |
Molecular Weight: | 117.54 |
Molecular Formula: | C3H4ClN3 |
Canonical SMILES: | CN1C=NN=C1Cl |
InChI: | InChI=1S/C3H4ClN3/c1-7-2-5-6-3(7)4/h2H,1H3 |
InChI Key: | HSTMKBRGFJVXKK-UHFFFAOYSA-N |
Boiling Point: | 235.2 ℃ at 760 mmHg |
Density: | 1.46 g/cm3 |
LogP: | 0.46850 |
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 |
WO-2008074991-A1 | Novel herbicides | 20061221 |
US-2002010098-A1 | Azolylalkylazole derivatives, their preparation, and their use as pesticides | 19991223 |
US-2004009992-A1 | Azolylalkylazole derivatives, their preparation, and their use as pesticides | 19991223 |
DE-4130541-A1 | PHOTOPOLYMERIZABLE COMPOSITION | 19900913 |
JP-H0511439-A | Photopolymerizable composition | 19900913 |
Complexity: | 67.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 117.0093748 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 117.0093748 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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