Ethyl 2-thenoate

HCID 76052CAS 2810-04-0

기본 정보

표준 SMILES: CCOC(=O)c1cccs1
InChIKey: JZGZKRJVTIRPOK-UHFFFAOYSA-N
분자식: C7H8O2S
평균 분자량: 156.2 g/mol
단동위원소 질량: 156.0245005

이름 및 식별자

우선 이름: Ethyl 2-thenoate
IUPAC: ethyl thiophene-2-carboxylate
영어명: Ethyl 2-thiophenecarboxylate
분자식: C7H8O2S
분자량: 156.2

이름 및 동의어

Ethyl 2-thiophenecarboxylateEthyl thiophene-2-carboxylate2810-04-0Ethyl 2-thenoateethyl thiophen-2-carboxylateJE4R4NBV2REINECS 220-554-9NSC-394552-Thiophenecarboxylic acid, ethyl esterDTXSID10182381NSC 39455RefChem:594523

이름 더 보기

RARECHEM AL BI 0177Ethyl 2-thiophenecarboxylEthylthiophen-2-carboxylat2-(Ethoxycarbonyl)thiophene3-ethylthiophene-2-carboxylateEthylthiophene-2-carboxylate,98%

DTXCID20104872220-554-9MFCD000054362-Thiophenecarboxylic Acid Ethyl EsterThiophene-2-carboxylic acid ethyl esterCHEMBL595062Ethyl2-thiophenecarboxylateThiophenecarboxylic acid, ethyl ester

데이터베이스 식별자

CAS: 2810-04-0
PubChem CID: 76052
DTXSID: DTXSID10182381
ChEMBL: CHEMBL595062
UNII: JE4R4NBV2R
EC Number: 220-554-9
Nikkaji: J151.106H

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 54.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 125

실험 및 물리화학적 성질

SpringerMaterials PropertiesDielectric constant

FragrancesFragrance Ingredient (2-_Thiophenecarboxylic acid, ethyl ester) -> IFRA transparency List

LogP2.33

물리화학적 성질

끓는 점: 218 °C · 218 °C (lit.)
밀도: 1.162 g/mL · 1.162 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.526(lit.)
인화점: 192 °F · 192 °F
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 투명한 액체
색상: 무색~연황색
BRN: 112678 · 112678
InChI: 1S/C7H8O2S/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
InChIKey: JZGZKRJVTIRPOK-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cccs1
LogP: 2.33 · 2.330
NIST: -2 · Thiophene-2-carboxylic acid ethyl ester(2810-04-0)

화학적 성질

clear light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H312 (98.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P261, P271, P280, P302+P352, P304+P340, P317, P321, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 91 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.