3-(chloromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one - CAS 1338226-21-3
Catalog: |
BB007819 |
Product Name: |
3-(chloromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one |
CAS: |
1338226-21-3 |
Synonyms: |
3-(chloromethyl)-4-methyl-1H-1,2,4-triazol-5-one; 3-(chloromethyl)-4-methyl-1H-1,2,4-triazol-5-one |
IUPAC Name: | 3-(chloromethyl)-4-methyl-1H-1,2,4-triazol-5-one |
Description: | 3-(chloromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS# 1338226-21-3) is a useful research chemical. |
Molecular Weight: | 147.562 |
Molecular Formula: | C4H6ClN3O |
Canonical SMILES: | CN1C(=NNC1=O)CCl |
InChI: | InChI=1S/C4H6ClN3O/c1-8-3(2-5)6-7-4(8)9/h2H2,1H3,(H,7,9) |
InChI Key: | FFJXSRWDORQRPQ-UHFFFAOYSA-N |
LogP: | -0.15280 |
GHS Hazard Statement: | H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2016316717-A1 | Phenoxymethyl derivatives | 20150904 |
CA-2992889-A1 | Phenoxymethyl derivatives | 20150904 |
EP-3344619-A1 | Phenoxymethyl derivatives | 20150904 |
JP-2018527353-A | Phenoxymethyl derivative | 20150904 |
KR-20180043837-A | Phenoxymethyl derivative | 20150904 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 147.0199395 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 147.0199395 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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