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| Name |
4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride |
EINECS | N/A |
| CAS No. | 30096-82-3 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H15 N3 O2 S2 . Cl H | Boiling Point | 425°C at 760 mmHg |
| Molecular Weight | 333.863 | Flash Point | 210.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Thiazolemethanamine,N,N-diethyl-2-(5-nitro-2-thienyl)-, monohydrochloride (9CI); Thiazole,4-[(diethylamino)methyl]-2-(5-nitro-2-thienyl)-, monohydrochloride (8CI) |
4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride Chemical Properties
Product Name: 4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride (CAS NO.30096-82-3)
Molecular Formula: C12H15N3O2S2•ClH
Molecular Weight: 333.88g/mol
Mol File: 30096-82-3.mol
Boiling point: 425 °C at 760 mmHg
Flash Point: 210.8 °C
Enthalpy of Vaporization: 67.96 kJ/mol
Vapour Pressure: 1.98E-07 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride (CAS NO.30096-82-3):
IUPAC Name: N-ethyl-N-[[2-(5-nitrothiophen-2-yl)-1,3-thiazol-4-yl]methyl]ethanaminehydrochloride
Canonical SMILES: CCN(CC)CC1=CSC(=N1)C2=CC=C(S2)[N+](=O)[O-].Cl
InChI: InChI=1S/C12H15N3O2S2.ClH/c1-3-14(4-2)7-9-8-18-12(13-9)10-5-6-11(19-10)15(16)17;/h5-6,8H,3-4,7H2,1-2H3;1H
InChIKey: IVSJNRFPOJVXRG-UHFFFAOYSA-N
4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 794, 1975. | |
| mouse | LD50 | oral | 300mg/kg (300mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 794, 1975. |
4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride Safety Profile
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and HCl.
4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride Specification
4-Diethylaminomethyl-2-(5-nitro-2-thienyl)thiazole hydrochloride , its CAS NO. is 30096-82-3, the synonym is Thiazole, 4-diethylaminomethyl-2-(5-nitro-2-thienyl)-, monohydrochloride .
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