CAS 17573-92-1 3-Methoxythiophene (HCID 140249)

Names & identifiers

Preferred name: 3-Methoxythiophene
IUPAC: 3-methoxythiophene
English name: 3-Methoxythiophene
Molecular formula: C5H6OS
Molecular weight: 114.17

Names & synonyms

3-Methoxythiophene17573-92-1Thiophene, 3-methoxy-DTXSID40170014RefChem:94669DTXCID3092505479-350-5InChI=1/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1HRFSKGCVUDQRZSD-UHFFFAOYSA-NMFCD000438943-methoxy-thiophene3-Methoxythiophene #

Show more names

EA004Compound Fr14554m-MethoxythiopheneMethoxythiophene,95%3-Methoxythiophene>METHYL 3-THIENYL ETHER3-Methoxythiophene,98%3-Methoxythiophene,99%

3-Methoxythiophene, 98%BIDD:GT0411SCHEMBL181787SCHEMBL266238SCHEMBL277645SCHEMBL316052SCHEMBL448491orb3170253

Database identifiers

CAS: 17573-92-1
PubChem CID: 140249
DTXSID: DTXSID40170014
EC Number: 479-350-5、629-101-3
Nikkaji: J383.034I

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 37.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 56

Physicochemical properties

Melting point: 49 · 49-50 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
Boiling point: 80 · 80-82 °C/65 mmHg (lit.)
Density: 1.143 g/mL · 1.143 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.532(lit.)
Flash point: 121 °F · 121 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
form: Liquid
color: Clear light brown
Sensitive: Air Sensitive
BRN: 106404 · 106404
InChI: InChI=1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3
InChIKey: RFSKGCVUDQRZSD-UHFFFAOYSA-N
SMILES: C1SC=CC=1OC
LogP: 1.81 · 1.810 (est)
CAS DataBase Reference: 17573 · 17573-92-1(CAS DataBase Reference)
NIST Chemistry Reference: 3 · Thiophene, 3-methoxy-(17573-92-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements: 10 · 10
Safety Statements: 16 · 16-27-36/37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
F: 13 · 13
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
REACH Registrations: Inactive
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

Hazard information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2467

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (100%)

Safety data

F: 13
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29339900
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 16-27-36/37/39
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H226
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Inactive
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P233-P240-P241-P242-P243

Chemistry & industry

Applications · 2 items

Uses3-Methoxythiophene, is a heterocyclic building block used for the synthesis of more complex compounds containing Thiophene moiety. It can also be used for the preparation of novel thiophenyl-methylene-9H-fluorene-based low bandgap polymers.

General Description3-Methoxythiophene is a thiophene. The intramolecular and intermolecular geometries of crystals of 3-methoxythiophene were studied. Spectroscopic studies of bipolarons derived from oligomerized 3-methoxythiophene in solution has been reported. The electropolymerization of 3-methoxythiophene on Pt and Fe electrodes in an aqueous micellar medium containing sodium dodecyl sulfate and 10-3M bithiophene has been reported. Thin polymer films of 3-methoxythiophene at the cathode in a direct current discharge have been prepared.