-
Name
N-[1-Methyl-3-(5-nitro-2-furyl)-1H-1,2,4-triazol-5-yl]acetamide
- EINECS
- CAS No. 10187-79-8
- Density 1.64g/cm3
- Solubility
- Melting Point
- Formula C9H9 N5 O4
- Boiling Point °Cat760mmHg
- Molecular Weight 251.202
- Flash Point °C
- Transport Information
- Appearance
- Safety Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1H-1,2,4-Triazole,5-acetamido-1-methyl-3-(5-nitro-2-furyl)- (7CI,8CI)
- PSA 118.77000
- LogP 1.53790
Acetamide, N-(1-methyl-3-(5-nitro-2-furyl)-s-triazol-5-yl)- Chemical Properties
Molecule structure of Acetamide, N-(1-methyl-3-(5-nitro-2-furyl)-s-triazol-5-yl)- (CAS NO.10187-79-8):
IUPAC Name: N-[2-Methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]acetamide
Molecular Weight: 251.19886 g/mol
Molecular Formula: C9H9N5O4
Density: 1.64 g/cm3
Index of Refraction: 1.707
Molar Refractivity: 59.57 cm3
Molar Volume: 152.8 cm3
Polarizability: 23.61×10-24 cm3
Surface Tension: 69.2 dyne/cm
XLogP3-AA: 0.4
H-Bond Donor: 1
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 251.065454
MonoIsotopic Mass: 251.065454
Topological Polar Surface Area: 116
Heavy Atom Count: 18
Complexity: 346
Canonical SMILES: CC(=O)NC1=NC(=NN1C)C2=CC=C(O2)[N+](=O)[O-]
InChI: InChI=1S/C9H9N5O4/c1-5(15)10-9-11-8(12-13(9)2)6-3-4-7(18-6)14(16)17/h3-4H,1-2H3,(H,10,11,12,15)
InChIKey of Acetamide, N-(1-methyl-3-(5-nitro-2-furyl)-s-triazol-5-yl)- (CAS NO.10187-79-8): VSMVDSLPLUCSKC-UHFFFAOYSA-N
Acetamide, N-(1-methyl-3-(5-nitro-2-furyl)-s-triazol-5-yl)- Toxicity Data With Reference
| 1. | orl-mus LD50:600 mg/kg | JMCMAR Journal of Medicinal Chemistry. 16 (1973),312. | ||
| 2. | ipr-mus LD50:300 mg/kg | JMCMAR Journal of Medicinal Chemistry. 16 (1973),312. |
Acetamide, N-(1-methyl-3-(5-nitro-2-furyl)-s-triazol-5-yl)- Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
Acetamide, N-(1-methyl-3-(5-nitro-2-furyl)-s-triazol-5-yl)- Specification
Acetamide, N-(1-methyl-3-(5-nitro-2-furyl)-s-triazol-5-yl)- (CAS NO.10187-79-8) is also named as Acetamide, N-(1-methyl-3-(5-nitro-2-furyl)-1H-1,2,4-triazol-5-yl)- ; BRN 1145789 ; s-Triazole, 5-acetamido-1-methyl-3-(5-nitro-2-furyl)- .
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