Methyl 3-thienylacetate

HCID 94041

Notes Reactions

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Basic information

CAS: 58414-52-1
Standard SMILES: COC(=O)Cc1ccsc1
InChIKey: RZGRWVULDSXQSM-UHFFFAOYSA-N
Molecular formula: C7H8O2S
Average molar mass: 156.2 g/mol
Monoisotopic mass: 156.0245005

Names & identifiers

Preferred name: Methyl 3-thienylacetate
IUPAC: methyl 2-thiophen-3-ylacetate
English name: METHYL THIOPHENE-3-ACETATE
Molecular formula: C7H8O2S
Molecular weight: 156.2

Names & synonyms

58414-52-1Methyl 3-thienylacetateEINECS 261-242-2DTXSID60207119RefChem:157533DTXCID10129610261-242-2RZGRWVULDSXQSM-UHFFFAOYSA-NMETHYL THIOPHENE-3-ACETATEMETHYL 2-(THIOPHEN-3-YL)ACETATEmethyl 2-(3-thienyl)acetatemethyl 2-thiophen-3-ylacetate

Show more names

METHYL THIEN-3-YLACETATEMethylthiophene-3-acetate,98+%(3-Thienyl)acetic acid methyl esterTHIOPHENE-3-ACETIC ACID METHYL ESTER

3-Thiopheneacetic acid, methyl esterMFCD00052947Methyl 3-thienylacetate #METHYL 3-THIOPHENEACETATEMethylthiophene-3-acetate130269-18-0SCHEMBL111429Methyl (thiophen-3-yl)acetate

Database identifiers

CAS: 58414-52-1
PubChem CID: 94041
DTXSID: DTXSID60207119
EC Number: 261-242-2
Nikkaji: J296.930K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

LogP1.46

Physicochemical properties

Boiling point: 125 °C · 125 °C
Density: 1.185 · 1.185±0.06 g/cm3(Predicted)
refractive index: 1.5215 · 1.5215
Flash point: 125 · 125-129°C/25mm
storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to light yellow Liquid
BRN: 4378596 · 4378596
CAS DataBase Reference: 58414 · 58414-52-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330
Safety Statements: 23 · 23-24/25
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330

Chemistry & industry

Upstream & downstream products

Upstream raw materials

ETHYL (2,5-DICHLOROTHIEN-3-YL)(OXO)ACETATE 2-(2,5-dichlorothiophen-3-yl)acetic acid 3-Thiopheneacetic acid THIOPHEN-3-YL-ACETYL CHLORIDE 3-Ethynylthiophene Methanol 3-Bromothiophene Methyl chloroacetate (TRIMETHYLSILYL)DIAZOMETHANE Methyl chloroformate

Downstream products

2-methyl-2-thiophen-3-yl-propionic acid methyl ester 3-Thiopheneacetaldehyde

Suppliers58 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Related reactions

18 records

New reaction record

HRID 104632 reaction equation

HRID 104632As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 150176 reaction equation

HRID 150176As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 256552 reaction equation

HRID 256552As productuspto-grants-1993_11

HRID 409407 reaction equation

HRID 409407As productuspto-grants-2014_06

HRID 409410 reaction equation

HRID 409410As reactantuspto-grants-2014_06

HRID 487533 reaction equation

HRID 487533As reactantuspto-grants-1994_03

HRID 509228 reaction equation

HRID 509228As productuspto-grants-2015_08

HRID 509231 reaction equation

HRID 509231As reactantuspto-grants-2015_08

Compound notes

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