Methyl 4-methylthiophene-2-carboxylate

HCID 2777593CAS 28686-90-0

Substructure search Find similar structures

Basic information

Standard SMILES: COC(=O)c1cc(C)cs1
InChIKey: YUJMWNYIBNSQPL-UHFFFAOYSA-N
Molecular formula: C7H8O2S
Average molar mass: 156.2 g/mol
Monoisotopic mass: 156.0245005

Names & identifiers

Preferred name: Methyl 4-methylthiophene-2-carboxylate
IUPAC: methyl 4-methylthiophene-2-carboxylate
English name: Methyl 4-methylthiophene-2-carboxylate
Molecular formula: C7H8O2S
Molecular weight: 156.2

Names & synonyms

methyl 4-methylthiophene-2-carboxylate28686-90-0DTXSID10380582RefChem:157635DTXCID40331608893-796-1YUJMWNYIBNSQPL-UHFFFAOYSA-N2-Thiophenecarboxylic acid, 4-methyl-, methyl esterMFCD01763641Methyl 4-Methyl-thiophene-2-carboxylateSCHEMBL131368SCHEMBL131369

Show more names

2-(Methoxycarbonyl)-4-methylthiophene4-methyl-2-thiophenecarboxylic acid methyl ester4-METHYL-THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER2-(Methoxycarbonyl)-4-methylthiophene, Methyl 4-methyl-2-thenoate4-methyl-2-Thiophenecarboxylic acid methyl ester (6CI 8CI 9CI ACI)2-Thiophenecarboxylic acid, 4-methyl-, methyl ester (6CI, 8CI, 9CI, ACI)

orb3030461SCHEMBL1717438SCHEMBL29189478Fr13831DBA68690SBB087166Methyl4-Methylthiophene-2-carboxylateAKOS006229824

Database identifiers

CAS: 28686-90-0
PubChem CID: 2777593
DTXSID: DTXSID10380582
EC Number: 893-796-1

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Boiling point: 84 · 84-85 °C(Press: 2 Torr)
Density: 1.173 · 1.173±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

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

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312