3-브로모티오펜

3-브로모티오펜 · S0501 · DK938 · 3-Bromthiophen · β-bromothiophene · 3-bromo-thiophen · 3-BroMothiofuran · 3-Bromothiophene

https://huagongshe.com/ko/chemical/13383

식별자 및 물리적 특성

CAS No.	872-31-1
분자식	C4H3BrS
평균 분자량	163.04 g/mol
단동위원소 질량	161.9138832 g/mol
SMILES	Brc1ccsc1
InChIKey	XCMISAPCWHTVNG-UHFFFAOYSA-N
PubChem CID	13383
EC No.	212-821-3
DTXSID	DTXSID2022129
현지명	3-브로모티오펜

화학 및 물리적 성질

XLogP	2.6
극성 표면적	28.2
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	6
형식 전하	0
복잡도	46.8
SpringerMaterials Properties	Coriolis coupling
LogP(분배 계수)	2.59
녹는점	<-10°C
끓는 점	150 °C (lit.)
밀도	1.74 g/mL at 25 °C (lit.)
굴절률	n20/D 1.591(lit.)
인화점	140 °F
저장 조건	Keep in dark place,Sealed in dry,2-8°C
용해도	클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	액체
비중	1.740
색상	무색투명~미황색
용해도	섞일 수 없음
BRN	105338
InChI	1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H
InChIKey	XCMISAPCWHTVNG-UHFFFAOYSA-N
SMILES	Brc1ccsc1
NIST	Thiophene, 3-bromo-(872-31-1)
EPA	3-Bromothiophene (872-31-1)

화학적 성질

clear colourless to slightly yellow liquid. It is not soluble in water, but can dissolve in common organic solvents such as chloroform, benzene, ether, and tetrahydrofuran.

안전 및 규제

GHS 분류	DangerH226 (95.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 92 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	3-Bromothiophene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 3 (95.7%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 2929 6.1/PG 2
관세 코드	29349990
위험 문구(R)	10-25-41-51/53-36/37/38-23/24/25-20/21/22-43-36/37
위험 표시	T,Xi,N,Xn
안전 문구(S)	26-36/37/39-45-61-38-28A-16-24/25-23-36-36/37-24/35
포장분류	II
위험 등급	6.1Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Flam. Liq. 3Skin Sens. 1STOT SE 3
F 고인화성물질	8
위험 참고 사항	Irritant
저장 분류	3 - Flammable liquids

용도

3-Bromothiophene is used in the preparation of derivatives such as thienylenic alpha, μ-diformyl-alpha-oligothiophenes and 3-lithiothiophene. It is also used in the synthesis of 3-lithiothiophene by reacting with n-butyllithium.