Basic information
- CAS
29421-72-5- Standard SMILES
Cc1cc(C=O)cs1- InChIKey
XITNVIKTFZONKR-UHFFFAOYSA-N- Molecular formula
- C6H6OS
- Average molar mass
- 126.18 g/mol
- Monoisotopic mass
- 126.01393581
Names & identifiers
- Preferred name
- 5-Methylthiophene-3-carbaldehyde
- IUPAC
- 5-methylthiophene-3-carbaldehyde
- English name
- 5-Methylthiophene-3-carbaldehyde
- Molecular formula
- C6H6OS
- Molecular weight
- 126.18
Names & synonyms
5-methylthiophene-3-carbaldehyde29421-72-5DTXSID50424691RefChem:304334DTXCID20375525892-899-93-Thiophenecarboxaldehyde, 5-methyl-MFCD077928875-methyl-3-thiophenecarboxaldehyde2-methyl-4-thiophenecarboxaldehyde4-Methyl-(9CI)-1H-imidazole-2-carboxylic Acid; 4-Methyl-1H-imidazole-2-carboxylic Acid; 4-Methylimidazole-2-carboxylic Acid;2-methyl-4-formyl-thiophene
Show more names
SCHEMBL124222-methyl-4-thiophene-aldehydSCHEMBL8696492XITNVIKTFZONKR-UHFFFAOYSA-NEBA42172AKOS006286902DS-5950PB42481
Database identifiers
- CAS
29421-72-5- PubChem CID
- 6502011
- DTXSID
DTXSID50424691- EC Number
- 892-899-9
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 92.5
Physicochemical properties
- Boiling point
- 91 · 91-100 °C(Press: 13 Torr)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Soluble), Methanol (Soluble)
- form
- Oil
- color
- Dark Yellow to Very Dark Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319-H335
- Precautionary statements
- 305 · P305+P351+P338
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, 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, P370+P378, P403, P403+P233, P405, 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. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H315-H319-H335
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses5-Methyl-1H-imidazole-2-carboxylic acid (cas# 70631-93-5) is a useful research chemical. It is in the chemical composition of steam and solvent crude oil extracts from azadirachta indica leaves. It is also in the slurry composition for chemical mechanical polishing of metal cable.
Suppliers32 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
Related reactions
5 records
Compound notes
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