Basic information
- CAS
932-41-2- Standard SMILES
O=Cc1ccsc1C=O- InChIKey
WSEJZRIZDQWMKQ-UHFFFAOYSA-N- Molecular formula
- C6H4O2S
- Average molar mass
- 140.16 g/mol
- Monoisotopic mass
- 139.99320037
Names & identifiers
- Preferred name
- Thiophene-2,3-dicarbaldehyde
- IUPAC
- thiophene-2,3-dicarbaldehyde
- English name
- 2,3-Thiophenedicarboxaldehyde
- Molecular formula
- C6H4O2S
- Molecular weight
- 140.16
Names & synonyms
Thiophene-2,3-dicarbaldehydeRefChem:897892672-649-32,3-Thiophenedicarboxaldehyde932-41-22,3-Thiophene-dicarbaldehyde2,3-DiformylthiopheneMFCD002096162,3-ThiophenedicarbaldehydeSCHEMBL225281DTXSID703415382,3-Thiophenedicarboxaldehyde, 97%
Show more names
BUTTPARK 154\50-98TIMTEC-BB SBB0041622,3-ThiophenedicarboxaL2,3-THIOPHENEDICARBOXYLATEThiophen-2,3-dicarbaldehyde2,3-Dicarbaldehyde thiophene
AKOS015856628CS-W014359EN300-1114082,3-ThiophenedialdehydediformylthiopheneFT-0691376BIDD:GT0218thiophene-2,3-dicarboxaldehyde
Database identifiers
- CAS
932-41-2- PubChem CID
- 573752
- DTXSID
DTXSID70341538- EC Number
- 672-649-3
- Nikkaji
- J713.434G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 62.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 76 · 76-78 °C (lit.)
- Boiling point
- 134 °C · 134 °C / 22mmHg
- Density
- 1.37 · 1.370±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- soluble in Methanol
- form
- powder to crystal
- color
- White to Light yellow
- InChI
- InChI=1S/C6H4O2S/c7-3-5-1-2-9-6(5)4-8/h1-4H
- InChIKey
- WSEJZRIZDQWMKQ-UHFFFAOYSA-N
- SMILES
- C1(C=O)SC=CC=1C=O
- CAS DataBase Reference
- 932 · 932-41-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses2,3-Thiophenedicarboxaldehyde may be employed for the synthesis of TIPSE (triisopropylsilylethynyl)-substituted dibromoanthradithiophene (TIPSEBr2- AntDT).
General Description2,3-Thiophenedicarboxaldehyde undergoes aldol reaction with (4aS,9R,9aR,10S)-11-(propan-2-ylidene)-2,3,4a,9,9a,10-hexahydro-9,10-methanoanthracene-1,4-dione under oxygen-free conditions affords (5aS,6S,11R,11aR)-14-(propan-2-ylidene)-5a,6,11,11a-tetrahydro-6,11-methanotetraceno[3,2-b]thiophene-5,12-dione.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Related reactions
4 records
Compound notes
Loading…