CAS 19432-69-0 Methyl 5-methyl-2-thiophenecarboxylate (HCID 580756)

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Basic information

CAS: 19432-69-0
Standard SMILES: COC(=O)c1ccc(C)s1
InChIKey: NEPZGUGQLAOODR-UHFFFAOYSA-N
Molecular formula: C7H8O2S
Average molar mass: 156.2 g/mol
Monoisotopic mass: 156.02450067

Names & identifiers

Preferred name: Methyl 5-methyl-2-thiophenecarboxylate
IUPAC: methyl 5-methylthiophene-2-carboxylate
English name: RARECHEM AL BF 0181
Molecular formula: C7H8O2S
Molecular weight: 156.2

Names & synonyms

19432-69-0Methyl 5-methyl-2-thiophenecarboxylateRefChem:1089492methyl 5-methylthiophene-2-carboxylate2-Thiophenecarboxylic acid, 5-methyl-, methyl esterMFCD06203669Methyl5-methylthiophene-2-carboxylateSCHEMBL425794DTXSID30342324STL170039AKOS005169009AB23205

Show more names

5-methyl-2-thiophenemethyl formate5-methylthiophene-2-carboxylic acid methyl ester5-methyl-2-thiophenecarboxylic acid methyl ester

SCHEMBL2072953RARECHEM AL BF 0181ALBB-017974SBB027056Methyl-5-methylthiophene-2-carboxylateMethyl 5-methyl-2-thiophene carboxylates10433AS-54476

Database identifiers

CAS: 19432-69-0
PubChem CID: 580756
DTXSID: DTXSID30342324
Nikkaji: J3.510.220E

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: 77 · 77-79 °C(Press: 5 Torr)
Density: 1.1736 g/cm3 · 1.1736 g/cm3
storage temp.: 2 · 2-8°C
Appearance: Colorless to light yellow Solid-liquid mixture
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501