Basic information
- CAS
129746-42-5- Standard SMILES
O=Cc1cccc(-c2ccsc2)c1- InChIKey
HOQKGZHXQLZFBT-UHFFFAOYSA-N- Molecular formula
- C11H8OS
- Average molar mass
- 188.25 g/mol
- Monoisotopic mass
- 188.02958588
Names & identifiers
- Preferred name
- 3-(Thiophen-3-yl)benzaldehyde
- IUPAC
- 3-thiophen-3-ylbenzaldehyde
- English name
- 3-Thien-3-ylbenzaldehyde
- Molecular formula
- C11H8OS
- Molecular weight
- 188.25
Names & synonyms
3-(thiophen-3-yl)benzaldehyde129746-42-5DTXSID80404128RefChem:276004DTXCID303549823-thien-3-ylbenzaldehyde3-thiophen-3-ylbenzaldehyde3-(3-thienyl)benzaldehydeBenzaldehyde, 3-(3-thienyl)-3-(thien-3-yl)benzaldehyde3-Thiophen-3-yl-benzaldehydeMFCD04039150
Show more names
AKOS BAR-02073-(3-Formylphenyl)thiophene3-(3-thiophenyl)benzaldehyde2-3-thiophen-3-ylbenzaldehyde3-(2-Acetylthiophen-3-yl)benzaldehyde
3-(3-thieny)benzaldehyde3-(3thienyl)benzaldehyde3-(3-thienyl)-benzaldehydeSCHEMBL4551130SCHEMBL7523352HOQKGZHXQLZFBT-UHFFFAOYSA-NSBB090826AKOS004114079
Database identifiers
- CAS
129746-42-5- PubChem CID
- 4547526
- DTXSID
DTXSID80404128- Nikkaji
- J959.117F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 48 °C · 48 °C
- Boiling point
- 302.9 · 302.9±25.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers49 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
20 records
Compound notes
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