3-(Chloromethyl)-5-ethyl-4-methyl-4H-1,2,4-triazole Hydrochloride - CAS 1034197-71-1
Catalog: |
BB001113 |
Product Name: |
3-(Chloromethyl)-5-ethyl-4-methyl-4H-1,2,4-triazole Hydrochloride |
CAS: |
1034197-71-1 |
Synonyms: |
3-(chloromethyl)-5-ethyl-4-methyl-1,2,4-triazole;hydrochloride; 3-(chloromethyl)-5-ethyl-4-methyl-1,2,4-triazole;hydrochloride |
IUPAC Name: | 3-(chloromethyl)-5-ethyl-4-methyl-1,2,4-triazole;hydrochloride |
Description: | 3-(Chloromethyl)-5-ethyl-4-methyl-4H-1,2,4-triazole Hydrochloride (CAS# 1034197-71-1 ) is a useful research chemical. |
Molecular Weight: | 196.08 |
Molecular Formula: | C6H11Cl2N3 |
Canonical SMILES: | CCC1=NN=C(N1C)CCl.Cl |
InChI: | InChI=1S/C6H10ClN3.ClH/c1-3-5-8-9-6(4-7)10(5)2;/h3-4H2,1-2H3;1H |
InChI Key: | GIMAPNHDUNGXKW-UHFFFAOYSA-N |
LogP: | 1.91830 |
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 |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0330028 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0330028 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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