Basic information
- CAS
17595-86-7- Standard SMILES
COC(=O)c1ccc(-c2cccs2)cc1- InChIKey
KQKUJLJBJZNZIZ-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015073
Names & identifiers
- Preferred name
- Methyl 4-(thiophen-2-yl)benzoate
- IUPAC
- methyl 4-thiophen-2-ylbenzoate
- English name
- 4-Thiophen-2-ylbenzoic acid methyl ester
- Molecular formula
- C12H10O2S
- Molecular weight
- 218.27
Names & synonyms
17595-86-7Methyl 4-(thiophen-2-yl)benzoateMethyl 4-thiophen-2-ylbenzoate4-Thiophen-2-ylbenzoic acid methyl estermethyl 4-(2-thienyl)benzoatemethyl 4-(2-thienyl)benzenecarboxylateMethyl 4-thien-2-ylbenzoateBenzoic acid, 4-(2-thienyl)-, methyl esterMFCD041257582-(4-methoxycarbonylphenyl)thiopheneSCHEMBL3193250DTXSID50395190
Show more names
AKOS BAR-0346RARECHEM AL BF 13274-(2-Thieny)benzoateMetheyl4-Thiophen-2-ylbenzoateethylMethyl4-thiophen-2-ylbenzoate4-THIOPHEN-2-YLBENZOIC ACID METHYL ESTER（WS204135）
Methyl4-(thiophen-2-yl)benzoateKQKUJLJBJZNZIZ-UHFFFAOYSA-NAKOS0041139746H-419SCS-0333830W17713F339629
Database identifiers
- CAS
17595-86-7- PubChem CID
- 3697617
- DTXSID
DTXSID50395190- Nikkaji
- J622.838K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Melting point
- 138 · 138-140 °C
- Boiling point
- 334.5 · 334.5±25.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
7 records
Compound notes
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