1-(3-Chlorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 832739-72-7
Catalog: |
BB047171 |
Product Name: |
1-(3-Chlorobenzyl)-1H-1,2,4-triazol-3-amine |
CAS: |
832739-72-7 |
Synonyms: |
1-(3-Chloro-benzyl)-1H-[1,2,4]triazol-3-ylamine; 1-[(3-chlorophenyl)methyl]-1H-1,2,4-triazol-3-amine; 1H-1,2,4-Triazol-3-amine, 1-[(3-chlorophenyl)methyl]- |
IUPAC Name: | 1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-amine |
Description: | 1-(3-Chlorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832739-72-7 ) is a useful research chemical. |
Molecular Weight: | 208.65 |
Molecular Formula: | C9H9ClN4 |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)CN2C=NC(=N2)N |
InChI: | InChI=1S/C9H9ClN4/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2,(H2,11,13) |
InChI Key: | CNQNEIWBVLGIEA-UHFFFAOYSA-N |
Boiling Point: | 424.1±47.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.051574 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.051574 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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