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Ammonium 2-hydroxyethanesulphonate

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Name

Ammonium 2-hydroxyethanesulphonate

EINECS 260-656-0
CAS No. 57267-78-4 Density 1.625g/cm3
PSA 86.22000 LogP 0.27120
Solubility N/A Melting Point 138-141 °C
Formula C2H9NO4S Boiling Point 418.9 °C at 760 mmHg
Molecular Weight 143.164 Flash Point 207.2 °C
Transport Information N/A Appearance White crystal
Safety 26-36-22 Risk Codes 36/37/38-40
Molecular Structure Molecular Structure of 57267-78-4 (Ammonium 2-hydroxyethanesulphonate) Hazard Symbols IrritantXi, HarmfulXn
Synonyms

Ethanesulfonicacid, 2-hydroxy-, monoammonium salt (9CI);Ammonium isethionate;Isethionic acid ammonium salt;

 

Ammonium 2-hydroxyethanesulphonate Consensus Reports

Reported in EPA TSCA Inventory.

Ammonium 2-hydroxyethanesulphonate Specification

The systematic name of Ammonium isethionate is ammonium 2-hydroxyethanesulfonate. With the CAS registry number 57267-78-4 and EINECS 260-656-0, it is also named as 2-Hydroxyethanesulfonic acid ammonium salt. The classification code is Skin / Eye Irritant. It is white crystal whic is highly toxic. When heated to decomposition it emits toxic fumes of SOx, NH3, and NOx. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.95; (4)ACD/LogD (pH 7.4): -6.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 71.98 Å2; (13)Enthalpy of Vaporization: 77.69 kJ/mol; (14)Boiling Point: 418.9 °C at 760 mmHg; (15)Vapour Pressure: 9E-09 mmHg at 25°C.

Uses of Ammonium isethionate: It can react with 4,4'-pentanediyldioxy-bis-benzimidic acid diethyl ester to get pentamidine isetionate. This reaction needs solvents H2O and ethanol at temperature of 45 - 50 °C. The reaction time is 24 hours. The yield is 83%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. And it has limited evidence of a carcinogenic effect. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:[O-]S(=O)(=O)CCO.[NH4+]
2. InChI:InChI=1/C2H6O4S.H3N/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);1H3
3. InChIKey:LLOHIFXFHGMBNO-UHFFFAOYAY

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