2,3,4-Trimethylthiophene
Basic information
- CAS
1795-04-6- Standard SMILES
Cc1csc(C)c1C- InChIKey
MAVVDCDMBKFUES-UHFFFAOYSA-N- Molecular formula
- C7H10S
- Average molar mass
- 126.22 g/mol
- Monoisotopic mass
- 126.05032149
Names & identifiers
- Preferred name
- 2,3,4-Trimethylthiophene
- IUPAC
- 2,3,4-trimethylthiophene
- English name
- 2,3,5-Trimethylthiophene
- Molecular formula
- C7H10S
- Molecular weight
- 126.22
Names & synonyms
Thiophene, 2,3,4-trimethyl-2,3,4-TRIMETHYLTHIOPHENE3NN5DSQ4CTDTXSID2073277EINECS 217-268-1RefChem:81344DTXCID2035695217-268-1MAVVDCDMBKFUES-UHFFFAOYSA-N1795-04-6trimethylthiopheneUNII-3NN5DSQ4CT
Show more names
2,3,5-TRIMETHYLTHIOPHENE 97+%
SCHEMBL765340SCHEMBL1618289SCHEMBL1926990AT33158NS00047865
Database identifiers
- CAS
1795-04-6- PubChem CID
- 15710
- DTXSID
DTXSID2073277- UNII
- 3NN5DSQ4CT
- EC Number
- 217-268-1
- Nikkaji
- J100.585E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
Physicochemical properties
- Melting point
- -26.2 °C · -26.2°C
- Boiling point
- 82 °C · 82°C 51mm
- Density
- 0 · 0,98 g/cm3
- refractive index
- 1.5183 · 1.5183
- Henry's Law Constant
- 1.3 · 1.3×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
- FDA UNII
- 3 NN5DSQ4CT · 3NN5DSQ4CT
- EPA Substance Registry System
- 2 · Thiophene, 2,3,4-trimethyl- (1795-04-6)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-36/37/39
- RIDADR
- 1993 · 1993
- HS Code
- 29349990 · 29349990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- ridadr
- 1993
- hs_code
- 29349990
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16-36/37/39
- Hazard statements
- H226
Chemistry & industry
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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