1-(2-티에닐)-1-프로파논

2-Propionylthiophene

HCID 26179

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 13679-75-9
표준 SMILES: CCC(=O)c1cccs1
InChIKey: MFPZQZZWAMAHOY-UHFFFAOYSA-N
분자식: C7H8OS
평균 분자량: 140.2 g/mol
단동위원소 질량: 140.02958588

개요

2-Propanoylthiophene is an aromatic ketone.

이름 및 식별자

우선 이름: 2-Propionylthiophene
IUPAC: 1-thiophen-2-ylpropan-1-one
현지명: 1-(2-티에닐)-1-프로파논
영어명: 1-(2-Thienyl)-1-propanone
분자식: C7H8OS
분자량: 140.2

이름 및 동의어

2-Propionylthiophene13679-75-91-(2-Thienyl)-1-propanone1-(thiophen-2-yl)propan-1-one2-Propanoylthiophene1-(2-Thienyl)propan-1-one1-Propanone, 1-(2-thienyl)-Ethyl 2-Thienyl KetoneNY658TVP5MEINECS 237-182-8NSC 76041NSC-76041

이름 더 보기

1-(2-티에닐)-1-프로파논1-(2-Thienyl)propanoneAKOS B000292Compound Fr13688ETHYL THIENYL KETONEThiophene, 2-propionyl2-Propionylthiophene>2-(1-propionyl)thiophene

DTXSID70159933RefChem:483247DTXCID2082424237-182-81-thiophen-2-ylpropan-1-oneMFCD000054462-propionylthiophen2-propionyithiophene

데이터베이스 식별자

CAS: 13679-75-9
PubChem CID: 26179
DTXSID: DTXSID70159933
ChEMBL: CHEMBL4453282
ChEBI: CHEBI:173590
UNII: NY658TVP5M
EC Number: 237-182-8
Nikkaji: J45.609H

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 111

실험 및 물리화학적 성질

SpringerMaterials PropertiesSurface tension

Flavoring AgentsEU Flavoring substances

Boiling Point107.00 °C. @ 11.00 mm Hg

Melting Point57.00 °C. @ 760.00 mm Hg

물리화학적 성질

끓는 점: 107 °C11 · 107 °C11 mm Hg(lit.)
밀도: 1.126 g/mL · 1.126 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.553(lit.)
인화점: 213 °F · 213 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: clear liquid to cloudy liquid
색상: Colorless to Red to Green
Specific Gravity: 1.126 · 1.126
냄새: 0.01 % · 프로필렌 글리콜 중 0.01%. 크리미한 캐러멜
냄새 유형: 크림 같은
BRN: 108934 · 108934
InChI: 1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3
InChIKey: MFPZQZZWAMAHOY-UHFFFAOYSA-N
SMILES: CCC(=O)c1cccs1
LogP: 1.779 · 1.779 (est)
NIST: 1 · 1-(2-Thienyl)-1-propanone(13679-75-9)

화학적 성질

clear colourless to light brown liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1417) of reports.

Warning

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1417 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 1-Propanone, 1-(2-thienyl)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Propanone, 1-(2-thienyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (> 99.9%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 36-26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야

용도1-(2-Thienyl)-1-propanone is used in the production of 2-Thiothinone Hydrochloride, an analog of methcathinone hydrochloride (M225925), which is a controlled substance (stimulant).