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CAS No.: | 65087-28-7 |
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Name: | 2-(dimethylamino)ethyl chlorosulphite hydrochloride |
Molecular Structure: | |
Formula: | C4H10ClNO2S.ClH |
Molecular Weight: | 208.11 |
Synonyms: | Chlorosulfurousacid, 2-(dimethylamino)ethyl ester, hydrochloride (9CI);2-(Dimethylamino)ethyl sulfurochloridoite hydrochloride (1:1);1-Chlorosulfinyloxy-2-(dimethylamino)ethane hydrochloride;AC1L2UBO;AC1Q3VQQ; |
EINECS: | 265-406-4 |
Boiling Point: | 231 °C at 760 mmHg |
Flash Point: | 93.5 °C |
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The Chlorosulfurous acid,2-(dimethylamino)ethyl ester, hydrochloride (1:1) with CAS registry number of 65087-28-7 is also known as 2-(Dimethylamino)ethyl chlorosulfite, hydrochloride. The IUPAC name is 1-Chlorosulfinyloxy-2-(dimethylamino)ethane hydrochloride. In addition, the formula is C4H10ClNO2S.ClH and the molecular weight is 208.11.
Physical properties about Chlorosulfurous acid,2-(dimethylamino)ethyl ester, hydrochloride (1:1) are: (1)ACD/LogP: 0.28; (2)ACD/LogD (pH 5.5): -2.02; (3)ACD/LogD (pH 7.4): -0.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 8.48; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4 ; (10)Flash Point: 93.5 °C; (11)Enthalpy of Vaporization: 46.76 kJ/mol; (12)Boiling Point: 231 °C at 760 mmHg; (13)Vapour Pressure: 0.0639 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: ClS(=O)OCCN(C)C.Cl
2. InChI: InChI=1/C4H10ClNO2S.ClH/c1-6(2)3-4-8-9(5)7;/h3-4H2,1-2H3;1H
3. InChIKey: HIUKETLDBCKHEP-UHFFFAOYAW
4. Std. InChI: InChI=1S/C4H10ClNO2S.ClH/c1-6(2)3-4-8-9(5)7;/h3-4H2,1-2H3;1H
5. Std. InChIKey: HIUKETLDBCKHEP-UHFFFAOYSA-N