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3-Chloropropanesulfonyl chloride

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Name

3-Chloropropanesulfonyl chloride

EINECS 216-646-3
CAS No. 1633-82-5 Density 1.452 g/cm3
PSA 42.52000 LogP 2.26470
Solubility N/A Melting Point N/A
Formula C3H6Cl2O2S Boiling Point 262.1 °C at 760 mmHg
Molecular Weight 177.051 Flash Point 92.3 °C
Transport Information UN 3265 8/PG 2 Appearance clear colorless to light brown liquid
Safety 26-36/37/39-45-24/25 Risk Codes 34-36/37
Molecular Structure Molecular Structure of 1633-82-5 (3-Chloropropanesulfonyl chloride) Hazard Symbols CorrosiveC
Synonyms

3-Chloro-1-propanesulfonyl chloride;3-Chloropropylsulfonyl chloride;4-04-00-00040 (Beilstein Handbook Reference);BRN 1754119;NSC 93777;gamma-Chloropropanesulfonyl chloride;

Article Data 19

3-Chloropropanesulfonyl chloride Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 1160mg/m3/10M (1160mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. AUG1942,

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