2-Acetyl-5-bromothiophene

1-(5-broMothiophen-2-yl)ethan-1-one · AKOS 93373 · BUTTPARK 52\12-17 · -5-bromothiophene · 2-Acetyl-5-bromothio · LABOTEST-BB LT01138486 · 2-Acetyl-5-bromthiophen · 5-Bromo 2-acetylthiophene

https://huagongshe.com/ko/chemical/79335

식별자 및 물리적 특성

CAS No.	5370-25-2
분자식	C6H5BrOS
평균 분자량	205.07 g/mol
단동위원소 질량	203.92444788 g/mol
SMILES	CC(=O)c1ccc(Br)s1
InChIKey	IGBZCOWXSCWSHO-UHFFFAOYSA-N
PubChem CID	79335
EC No.	226-363-7
DTXSID	DTXSID70201961

화학 및 물리적 성질

XLogP	2.6
극성 표면적	45.3
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	9
형식 전하	0
복잡도	126
SpringerMaterials Properties	Chemical shift
녹는점	94-96 °C (lit.)
끓는 점	103 °C/4 mmHg (lit.)
밀도	1.649 (estimate)
인화점	103°C/4mm
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
용해도	메탄올에 용해됨
물리적 상태	결정질 플레이크 또는 분말
색상	노란색
BRN	113949
InChI	InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKey	IGBZCOWXSCWSHO-UHFFFAOYSA-N
SMILES	C(=O)(C1SC(Br)=CC=1)C
NIST	2-Acetyl-5-bromothiophene(5370-25-2)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류	WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (85.7%)
수질 위해 등급(WGK)	3
운송 번호(UN)	UN2811
관세 코드	29339900
위험 문구(R)	36/37/38-20/21/22
위험 표시	Xn
안전 문구(S)	36/37/39-26-22
위험 등급	LIGHT SENSITIVE
저장 분류	11 - Combustible Solids

용도

2-Acetyl-5-bromothiophene was used as a starting reagent in the synthesis of bithiophene bis-imidazo[1,2-a]pyridine derivatives. It was also used in the preparation of phosphorus-containing fused bicyclic 5,6-membered compounds.