4-Propoxybenzene-1-sulfonyl chloride

HCID 12239196

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Basic information

CAS: 58076-32-7
Standard SMILES: CCCOc1ccc(S(=O)(=O)Cl)cc1
InChIKey: LHYZGURMLPSRFU-UHFFFAOYSA-N
Molecular formula: C9H11ClO3S
Average molar mass: 234.7 g/mol
Monoisotopic mass: 234.0117431

Names & identifiers

Preferred name: 4-Propoxybenzene-1-sulfonyl chloride
IUPAC: 4-propoxybenzenesulfonyl chloride
English name: Benzenesulfonyl chloride, 4-propoxy-
Molecular formula: C9H11ClO3S
Molecular weight: 234.7

Names & synonyms

4-propoxybenzene-1-sulfonyl chlorideRefChem:526561860-095-758076-32-74-propoxybenzenesulfonyl chlorideBenzenesulfonyl chloride, 4-propoxy-4-Propoxy-BenzenesulfonylchlorideMFCD098093404-propoxy-Benzenesulfonyl chlorideSCHEMBL1189822DTXSID90481905LHYZGURMLPSRFU-UHFFFAOYSA-N

Show more names

4-propoxybenzene-1-sulfonylchlorideAKOS000155729DB-072412CS-0247347EN300-364884-propoxybenzene-1-sulfonyl chloride, AldrichCPR

Database identifiers

CAS: 58076-32-7
PubChem CID: 12239196
DTXSID: DTXSID90481905
EC Number: 860-095-7

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 51.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 250

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 43 · 43
Safety Statements: 36 · 36/37

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 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.