3,5,6-Trichloro-1,2,4-triazine - CAS 873-41-6
Catalog: |
BB038387 |
Product Name: |
3,5,6-Trichloro-1,2,4-triazine |
CAS: |
873-41-6 |
Synonyms: |
3,5,6-trichloro-1,2,4-triazine; 3,5,6-trichloro-1,2,4-triazine |
IUPAC Name: | 3,5,6-trichloro-1,2,4-triazine |
Description: | 3,5,6-Trichloro-1,2,4-triazine (CAS# 873-41-6) is a compound useful in organic synthesis. |
Molecular Weight: | 184.41 |
Molecular Formula: | C3Cl3N3 |
Canonical SMILES: | C1(=C(N=NC(=N1)Cl)Cl)Cl |
InChI: | InChI=1S/C3Cl3N3/c4-1-2(5)8-9-3(6)7-1 |
InChI Key: | YHKUFWFVZIIVDL-UHFFFAOYSA-N |
Boiling Point: | 337.3 °C at 760 mmHg |
Density: | 1.757 g/cm3 |
MDL: | MFCD09033774 |
LogP: | 1.83180 |
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-2021121327-A1 | Substituted straight chain spiro derivatives | 20191219 |
US-2017298055-A1 | sGC STIMULATORS | 20140917 |
WO-2016044445-A2 | sGC STIMULATORS | 20140917 |
US-10472334-B2 | Small molecules for inhibiting male fertility | 20140314 |
US-2017057934-A1 | Small molecules for inhibiting male fertility | 20140314 |
Complexity: | 100 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.915780 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.915780 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 38.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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