CAS 57382-97-5 Ethyl 2-thienylacetate (HCID 93657)

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Basic information

CAS: 57382-97-5
Standard SMILES: CCOC(=O)Cc1cccs1
InChIKey: QSUANHXENVRFDN-UHFFFAOYSA-N
Molecular formula: C8H10O2S
Average molar mass: 170.23 g/mol
Monoisotopic mass: 170.04015056

Names & identifiers

Preferred name: Ethyl 2-thienylacetate
IUPAC: ethyl 2-thiophen-2-ylacetate
English name: Ethyl 2-thiopheneacetate
Molecular formula: C8H10O2S
Molecular weight: 170.23

Names & synonyms

57382-97-5Ethyl 2-thienylacetateEINECS 260-715-0DTXSID002059772-Thiopheneacetic acid, ethyl esterRefChem:594524DTXCID30128468260-715-0InChI=1/C8H10O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1HEthyl 2-thiopheneacetateethyl 2-(thiophen-2-yl)acetateethyl 2-thiophen-2-ylacetate

Show more names

Ethyl 2-thiopheneacetate 98%Ethyl 2-thiopheneacetate,98%Ethylthiophene-2-acetate,97%Thiophene-2-aceticacidethylester2-THIENYLACETIC ACID, ETHYL ESTEREthyl 2-thiopheneacetate ISO 9001：2015 REACH

Thiopheneacetic acid, ethyl esterEthyl thiophene-2-acetateethyl 2-(2-thienyl)acetateMFCD00005457Ethyl 2-thiophene acetateSTL284639AKOS008950820D81743

Database identifiers

CAS: 57382-97-5
PubChem CID: 93657
DTXSID: DTXSID00205977
EC Number: 260-715-0
Nikkaji: J38.101B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 0.7 °C · 0.7 °C (approx)
Boiling point: 119 · 119-121 °C/23 mmHg (lit.)
Density: 1.134 g/mL · 1.134 g/mL at 25 °C (lit.)
refractive index: 1.509 · 1.509-1.511
Flash point: 104 °C · 104 °C
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: liquid
Specific Gravity: 1.134 · 1.134
Appearance: Brown to red Liquid
BRN: 127918 · 127918
InChI: 1S/C8H10O2S/c1-2-10-8(9)6-7-4-3-5-11-7/h3-5H,2,6H2,1H3
InChIKey: QSUANHXENVRFDN-UHFFFAOYSA-N
SMILES: CCOC(=O)Cc1cccs1
CAS DataBase Reference: 57382 · 57382-97-5(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Ethyl 2-thiopheneacetate(57382-97-5)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
Storage Class: 10 - Combustible liquids
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

UsesEthyl 2-thiopheneacetate has been used in preparation of:S-(2-(5-((amidinothio)methyl)-2-thienyl)ethyl)isothioureapyrrolo [3,2-b] pyrrole-based copolymers for organic photovoltaic device