Methyl thiophen-2-acetate

HCID 88055CAS 19432-68-9

기본 정보

표준 SMILES: COC(=O)Cc1cccs1
InChIKey: KNKIXYMOHMYZJR-UHFFFAOYSA-N
분자식: C7H8O2S
평균 분자량: 156.2 g/mol
단동위원소 질량: 156.0245005

이름 및 식별자

우선 이름: Methyl thiophen-2-acetate
IUPAC: methyl 2-thiophen-2-ylacetate
영어명: Methyl 2-thienylacetate
분자식: C7H8O2S
분자량: 156.2

이름 및 동의어

19432-68-9Methyl thiophen-2-acetateEINECS 243-054-22-Thiopheneacetic acid, methyl esterAI3-08541DTXSID90173055RefChem:818103DTXCID0095546243-054-2Methyl 2-thienylacetatemethyl 2-(thiophen-2-yl)acetateMethyl thiophene-2-acetate

이름 더 보기

Methyl thiophen-2-ylacetate2-(3-Methylthiophen-2-yl)acetate2-Thienylacetic acid methyl esterThien-2-ylacetic acid methyl esterTHIOPHENE-2-ACETIC ACID METHYL ESTER

Methyl 2-thiopheneacetatemethyl 2-thiophen-2-ylacetateThiopheneacetic acid, methyl estermethyl 2-(2-thienyl)acetateMFCD00041213Methyl2-thienylacetatemethyl 2-(2 -thienyl)acetateAKOS005207229

데이터베이스 식별자

CAS: 19432-68-9
PubChem CID: 88055
DTXSID: DTXSID90173055
EC Number: 243-054-2
Nikkaji: J25.367G

물성

구조 계산 물성

XLogP: 1.5
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

LogP1.51

물리화학적 성질

끓는 점: 50 °C0.06 · 50 °C0.06 mm Hg(lit.)
밀도: 1.188 g/mL · 1.188 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.523
인화점: 100 · 100-104°C/14mm
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
BRN: 120622 · 120622
InChI: InChI=1S/C7H8O2S/c1-9-7(8)5-6-3-2-4-10-6/h2-4H,5H2,1H3
InChIKey: KNKIXYMOHMYZJR-UHFFFAOYSA-N
SMILES: C1(CC(OC)=O)SC=CC=1

안전 및 규제

GHS 분류

GHS Classification · 4건

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.