CAS 632-16-6 2,3-Dimethylthiophene (HCID 34295)

Names & identifiers

Preferred name: 2,3-Dimethylthiophene
IUPAC: 2,3-dimethylthiophene
English name: 2,3-Dimethylthiophene
Molecular formula: C6H8S
Molecular weight: 112.19

Names & synonyms

2,3-Dimethylthiophene632-16-6Thiophene, 2,3-dimethyl-2,3-dimethyl-thiopheneVJY61TQ8W6EINECS 211-170-2UNII-VJY61TQ8W6DTXSID50212550RefChem:81870DTXCID80135041211-170-2BZYUMXXOAYSFOW-UHFFFAOYSA-N

Show more names

thioxeneDimethylthiopene2,3-Dimethylthiophene,97%2,3-DiMethylthiophene, 97% 1GR2,3-Dimethylthiophene in isooctane2,3-Dimethylthiophene ISO 9001：2015 REACH

MFCD001300812.3-DimethylthiopheneDIMETHYLTHIOPHENE2,3-dirnethylthiophene2,3-dimethyl thiophene2,3- dimethyl-thiopheneSCHEMBL113923SCHEMBL129047

Database identifiers

CAS: 632-16-6
PubChem CID: 34295
DTXSID: DTXSID50212550
UNII: VJY61TQ8W6
EC Number: 211-170-2
Nikkaji: J110.440C

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 61.2

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Boiling Point138.00 to 140.00 °C. @ 760.00 mm Hg

Melting Point-49 °C

Physical DescriptionLiquid

Physicochemical properties

Melting point: -49 °C · -49°C
Boiling point: 140 · 140-141 C
Density: 1.002 g/cm · 1.002 g/cm
refractive index: 1.517 · 1.517-1.521
Flash point: 26 ° · 26° (79°F)
storage temp.: Flammables area
solubility: Chloroform, Methanol (Slightly)
form: Liquid
color: Clear colorless to yellow
Water Solubility: Insoluble in water.
Henry's Law Constant: 1.5 · 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI: InChI=1S/C6H8S/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey: BZYUMXXOAYSFOW-UHFFFAOYSA-N
SMILES: C1(C)SC=CC=1C
LogP: 2.502 · 2.502 (est)
CAS DataBase Reference: 632 · 632-16-6(CAS DataBase Reference)
FDA UNII: 61 TQ8W6 · VJY61TQ8W6
NIST Chemistry Reference: 2 · Thiophene, 2,3-dimethyl-(632-16-6)
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 226 · H226-H332
Precautionary statements: 210 · P210-P261-P280a-P303+P361+P353-P304+P340-P501a
Hazard Codes: Xn-F,Xi,Xn,F
Risk Statements: 20 · 20/21/22-11-36/37/38
Safety Statements: 9 · 9-36/37-33-16-26
RIDADR: 1993 · UN1993
Hazard Note: Irritant
HazardClass: 3 · 3
HS Code: 29349990 · 29349990
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (25%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (25%)

Safety data

ridadr: UN1993
hs_code: 29349990
risk_code: 20/21/22-11-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: Xn-F,Xi,Xn,F
hazard_note: Irritant
safety_code: 9-36/37-33-16-26
hazard_class: 3
Hazard statements: H226-H332
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P210-P261-P280a-P303+P361+P353-P304+P340-P501a

Chemistry & industry

Pharmacology

Cellular LocationsMembrane

Applications

UsesIt has also been found that 2,3-dimethylthiophene can be formylated to yield a dimethylthiophene aldehyde, which as expected proved to have the aldehyde group in the free a-position.