1-Propanesulfonylchloride, 3-chloro- (1633-82-5)

The 3-Chloropropanesulfonyl chloride with cas registry number of 1633-82-5 belongs to the categories: Organic Building Blocks; Sulfonyl Halides; Sulfur Compounds. It is clear colorless to light brown liquid and sensitive to lachrymatory. It also has the EINECS registry number of 216-646-3. In addition, both its systematic name and IUPAC name are the same which is called 3-chloropropane-1-sulfonyl chloride.

The physical properties about this chemical are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110.1; (8)ACD/KOC (pH 7.4): 110.1; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 34.41 cm³; (14)Molar Volume: 121.8 cm³; (15)Surface Tension: 42.7 dyne/cm; (16)Density: 1.452 g/cm³; (17)Flash Point: 92.3 °C; (18)Enthalpy of Vaporization: 47.97 kJ/mol; (19)Boiling Point: 262.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0181 mmHg at 25°C.

Preparation of 3-Chloropropanesulfonyl chloride: it can be prepared by [1,2]oxathiolane 2,2-dioxide together with reagents: SOCl₂, dimethylformamide.

Uses of 3-Chloropropanesulfonyl chloride: it can be used for the synthesis of 1-(3-chloro-propane-1-sulfonyl)-pyrrolidine with pyrrolidine. This reaction also needs reagents Et₃N and solvent CH₂Cl₂.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin and causes burns. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. 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: ClCCCS(Cl)(=O)=O;
(2)InChI: InChI=1/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2;
(3)InChIKey: GPKDGVXBXQTHRY-UHFFFAOYAW

The toxicity data is as follows: