Ethyl 3-(chlorosulfonyl)propanoate

HCID 4128467

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Basic information

CAS: 103472-25-9
Standard SMILES: CCOC(=O)CCS(=O)(=O)Cl
InChIKey: JIQDEHYHHKZBRI-UHFFFAOYSA-N
Molecular formula: C5H9ClO4S
Average molar mass: 200.64 g/mol
Monoisotopic mass: 199.9910076

Names & identifiers

Preferred name: Ethyl 3-(chlorosulfonyl)propanoate
IUPAC: ethyl 3-chlorosulfonylpropanoate
English name: ethyl 3-(chlorosulfonyl)propanoate
Molecular formula: C5H9ClO4S
Molecular weight: 200.64

Names & synonyms

ethyl 3-(chlorosulfonyl)propanoate103472-25-9DTXSID30399636RefChem:343236DTXCID20350493865-608-8Ethyl 3-chlorosulfonylpropanoateethyl 3-(chlorosulfonyl)propionateMFCD07186267SCHEMBL1411856JIQDEHYHHKZBRI-UHFFFAOYSA-N2-Carboethoxyethylsulfonyl chloride

Show more names

ethyl 3-sulfopropanoatePropanoic acid, 3-(chlorosulfonyl)-, ethyl ester

DEA47225AC2764SBB092679AKOS005072553GC-0767DA-19580SY034662EN300-51864

Database identifiers

CAS: 103472-25-9
PubChem CID: 4128467
DTXSID: DTXSID30399636
EC Number: 865-608-8

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 68.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 11
Formal charge: 0
Complexity: 215

Physicochemical properties

Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314
Precautionary statements: 280 · P280-P301+P330+P331-P308+P311
HazardClass: KEEP COLD, STORED UNDER ARGON
HS Code: 2915907098 · 2915907098

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.