CAS 16839-97-7 2-Methoxythiophene (HCID 85610)

Names & identifiers

Preferred name: 2-Methoxythiophene
IUPAC: 2-methoxythiophene
English name: 2-Methoxythiophene
Molecular formula: C5H6OS
Molecular weight: 114.17

Names & synonyms

2-Methoxythiophene16839-97-7Thiophene, 2-methoxy-EINECS 240-863-2DTXSID60168559RefChem:87950DTXCID1091050240-863-2InChI=1/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1HOKEHURCMYKPVFW-UHFFFAOYSA-N130410-20-72-methoxy-thiophene

Show more names

Methoxythiophene2-Methoxythiophene>2-Methoxythiophene 97%2-Methoxythiophene,99%2-Methoxythiophene,97%METHYL 2-THIENYL ETHER2-Methoxythiophene ISO 9001：2015 REACH

MFCD000145262-methoxy thiophene2-Methoxythiophene #2-(methyloxy)thiophene2-Methoxythiophene, 97%SCHEMBL73652SCHEMBL247102SCHEMBL383629

Database identifiers

CAS: 16839-97-7
PubChem CID: 85610
DTXSID: DTXSID60168559
ChEBI: CHEBI:229346
EC Number: 240-863-2
Nikkaji: J151.062B

Properties

Computed structural properties

XLogP: 1.9
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

Experimental & physicochemical properties

Kovats Retention Index878

Physicochemical properties

Boiling point: 151 · 151-152 °C/762 mmHg (lit.)
Density: 1.133 g/mL · 1.133 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.528(lit.)
Flash point: 110 °F · 110 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform, Methanol (Slightly)
form: clear liquid
color: Colorless to Light yellow to Light orange
BRN: 106271 · 106271
InChI: InChI=1S/C5H6OS/c1-6-5-3-2-4-7-5/h2-4H,1H3
InChIKey: OKEHURCMYKPVFW-UHFFFAOYSA-N
SMILES: C1(OC)SC=CC=1
LogP: 2.13 · 2.130
CAS DataBase Reference: 16839 · 16839-97-7(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2-Methoxythiophene(16839-97-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Precautionary statements: 210 · P210-P240-P241-P280a-P303+P361+P353-P501a
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Risk Statements: 10 · 10
Safety Statements: 16 · 16
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29349990 · 29349990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 · Flam. Liq. 3
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 · 5 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 46 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29349990
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 16
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)
Hazard Classifications: Flam. Liq. 3
Precautionary statements: P210-P240-P241-P280a-P303+P361+P353-P501a

Chemistry & industry

Applications · 2 items

Uses2-Methoxythiophene was used in thermal reaction (60°C) of (C5Me5)Rh(PMe3)(Ph)H.

General Description2-Methoxythiophene is a heterocyclic methyl enol ether and its reaction with o-quinone monoimide was studied. The intramolecular and intermolecular geometries of crystals of 2-methoxythiophene were investigated. Kinetics of the hydronium-ion catalysed hydrolysis of 2-methoxythiophene was reported.