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CAS No.: | 16694-46-5 |
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Name: | ETHYL FORMIMIDATE HYDROCHLORIDE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C3H8ClNO |
Molecular Weight: | 109.556 |
Synonyms: | Formimidicacid, ethyl ester, hydrochloride (6CI,8CI);Ethyl methanimidate hydrochloride; |
Density: | 0.88g/cm3 |
Melting Point: | 75 °C (dec.)(lit.) |
Boiling Point: | 31.7 °C at 760 mmHg |
Flash Point: | 9.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 33.08000 |
LogP: | 1.53170 |
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The CAS register number of Ethyl formimidate hydrochloride is 16694-46-5. It also can be called as Methanimidic acid,ethyl ester, hydrochloride (9CI) and the IUPAC name about this chemical is ethyl methanimidate hydrochloride. It belongs to the following product categories, such as Amidates/Imidates, Nitrogen Compounds, Organic Building Blocks and so on.
Physical properties about Ethyl formimidate hydrochloride are: (1)ACD/LogP: 0.33; (2)ACD/LogD (pH 5.5): -1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 12; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 12.24 Å2; (11)Flash Point: 9.7 °C; (12)Enthalpy of Vaporization: 26.57 kJ/mol; (13)Boiling Point: 31.7 °C at 760 mmHg; (14)Vapour Pressure: 597 mmHg at 25°C.
Uses of Ethyl formimidate hydrochloride: it can be used to produce 4-(diphenylmethyl)-1-piperidinemethanimine hydrochloride with 4-benzhydryl-piperidine at temperature of 25 ℃. This reaction will need reagent ethanol with reaction time of 0.75 hours. The yield is about 43%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N=COCC
(2)InChI: InChI=1/C3H7NO.ClH/c1-2-5-3-4;/h3-4H,2H2,1H3;1H
(3)InChIKey: JPUTTYRVDANTBN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C3H7NO.ClH/c1-2-5-3-4;/h3-4H,2H2,1H3;1H
(5)Std. InChIKey: JPUTTYRVDANTBN-UHFFFAOYSA-N