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CAS No.: | 123-46-6 |
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Name: | Ethanaminium,2-hydrazinyl-N,N,N-trimethyl-2-oxo-, chloride (1:1) |
Article Data: | 11 |
Cas Database | |
Molecular Structure: | |
Formula: | C5H14N3O.Cl |
Molecular Weight: | 167.639 |
Synonyms: | (Carboxymethyl)trimethylammoniumchloride hydrazide (6CI);Ammonium compounds, substituted,(carboxymethyl)trimethyl-, chloride, hydrazide (7CI);Ammonium,(carboxymethyl)trimethyl-, chloride, hydrazide (8CI);Ethanaminium,2-hydrazino-N,N,N-trimethyl-2-oxo-, chloride (9CI);(2-Hydrazino-2-oxoethyl)trimethylammonium chloride;(Carbazoylmethyl)trimethylammoniumchloride;Betaine hydrazide chloride;Betaine hydrazide hydrochloride;Girard-Treagent;Girard's T reagent;Reagents, Girard's T;Trimethylacetylhydrazideammonium chloride;Trimethylaminoacetohydrazide chloride;Trimethylammonioacetohydrazide chloride;Trimethylammonium acetyl hydrazidechloride;Trimethylammonium chloride acetylhydrazide;2-Hydrazino-N,N,N-trimethyl-2-oxo-ethanaminium chloride; |
EINECS: | 204-629-3 |
Density: | 1.3799 (rough estimate) |
Melting Point: | 188-192 °C (dec.)(lit.) |
Boiling Point: | N/A |
Flash Point: | N/A |
Solubility: | Soluble in water, glacial acetic acid, glycerol and glycol |
Appearance: | white to almost white crystalline powder |
Hazard Symbols: | Xn,F |
Risk Codes: | 44-36/37/38-20/22-11 |
Safety: | 22-24/25-36/37/39-26-16 |
Transport Information: | N/A |
PSA: | 55.12000 |
LogP: | -3.22230 |
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Reported in EPA TSCA Inventory.
The Girard's reagent T, with the CAS registry number 602-94-8, is also known as Trimethylacetylhydrazideammonium chloride. It belongs to the product categories of Pharmaceutical Intermediates; Ammonium Chlorides (Quaternary); Quaternary Ammonium Compounds. Its EINECS number is 204-629-3. This chemical's molecular formula is C5H14N3O.Cl and molecular weight is 167.64. What's more, its systematic name is 2-Hydrazino-N,N,N-trimethyl-2-oxoethanaminium chloride. It is used for separating ketosteroids. It is also used in some dehydration reaction.
Physical properties of Girard's reagent T are: (1)ACD/LogP: -4.606; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.61; (4)ACD/LogD (pH 7.4): -4.61; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 23.55 Å2.
Preparation: mix ethyl chloroacetate with absolute ethyl alcohol and then cool to 0 °C, and add trimethylamine which are precooled to -5 °C. Control the exothermic reaction, and make the reaction temperature rise to 60 °C within 1 hour. If the reaction stops releasing heat, place the reactant at room temperature for 24 hours. Adding 100% hydrazine hydrate and stir for 45 min. The Girard's reagent T are got by cooling, filtering out crystals and drying. The yield is about 83.5-89.5%.
Uses of Girard's reagent T: it can be used to produce 1-Acetyltrimethylammonium chloride-4-phenyl-3-semicarbazide by heating. It will need solvent ethanol with the reaction time of 15 min. The yield is about 75%.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. This substance is harmful by inhalation and if swallowed. You should not breathe dust. When using it, you must avoid contact with skins and eyes. It has a risk of explosion if heated under confinement. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C(NN)C[N+](C)(C)C
(2)Std. InChI: InChI=1S/C5H13N3O.ClH/c1-8(2,3)4-5(9)7-6;/h4,6H2,1-3H3;1H
(3)Std. InChIKey: YSULOORXQBDPCU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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rat | LD | oral | > 500mg/kg (500mg/kg) | National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 25, 1953. |