CAS 61380-07-2 2-(2-Thienyl)ethyl methanesulphonate (HCID 3047723)

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Basic information

CAS: 61380-07-2
Standard SMILES: CS(=O)(=O)OCCc1cccs1
InChIKey: VUMFRFIVUQTAPJ-UHFFFAOYSA-N
Molecular formula: C7H10O3S2
Average molar mass: 206.3 g/mol
Monoisotopic mass: 206.00713618

Names & identifiers

Preferred name: 2-(2-Thienyl)ethyl methanesulphonate
IUPAC: 2-thiophen-2-ylethyl methanesulfonate
English name: 2-(2-thienyl)ethyl methanesulphonate
Molecular formula: C7H10O3S2
Molecular weight: 206.28

Names & synonyms

61380-07-22-(2-Thienyl)ethyl methanesulphonateEINECS 262-747-0DTXSID80210302RefChem:454459DTXCID40132793262-747-02-Thiopheneethanol Methanesulfonate2-(Thiophen-2-yl)ethyl methanesulfonate2-thiophen-2-ylethyl methanesulfonate2-(Thien-2-yl)ethyl Methanesulfonate2-(2-Thienyl)ethyl Mesylate; 2-(Thien-2-yl)ethyl Methanesulfonate

Show more names

2-(2-Thienyl)ethyl Mesylate2-Thiopheneethanol, 2-methanesulfonateMethanesulfonic acid 2-(2-thienyl)ethyl ester

2-Thiopheneethanol,2-methanesulfonate2-(2-THIENYL)ETHYL METHANESULFONATESCHEMBL11617032-thien-2-ylethyl Methanesulfonate2-(2-thienyl)ethyl methane-sulfonate2-thiophen-2-yl-ethyl methansulfonateAKOS0302407612-(2-Thienyl)ethanol O-methanesulfonate

Database identifiers

CAS: 61380-07-2
PubChem CID: 3047723
DTXSID: DTXSID80210302
EC Number: 262-747-0
Nikkaji: J279.618J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 80 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 217

Physicochemical properties

storage temp.: Refrigerator
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
color: Dark Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H302
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H317-H302
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501