디클로로티오펜

디클로로티오펜 · 2,5-다이클로로싸이오펜 · Metomidine base · DICHLOROTHIOPHENE · 2,5-diclorothiophene · 2,5-dichloro-thiophen · 2,6-DICHLOROTHIOPHENE · 2,5-DICHLOROTHIOPHENE

https://huagongshe.com/ko/chemical/18501

식별자 및 물리적 특성

CAS No.	3172-52-9
분자식	C4H2Cl2S
평균 분자량	153.03 g/mol
단동위원소 질량	151.9254266 g/mol
SMILES	Clc1ccc(Cl)s1
InChIKey	FGYBDASKYMSNCX-UHFFFAOYSA-N
PubChem CID	18501
EC No.	221-638-8
DTXSID	DTXSID6062888
현지명	디클로로티오펜

화학 및 물리적 성질

XLogP	3.5
극성 표면적	28.2
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	0
무거운 원자 수	7
형식 전하	0
복잡도	58
Physical Description	Clear liquid with a stenchDarkens on storage[Acros Organics MSDS]
녹는점	-41--40°C
끓는 점	162 °C (lit.)
밀도	1.442 g/mL at 25 °C (lit.)
굴절률	1.561-1.563
인화점	59 °C
저장 조건	2-8°C
물리적 상태	액체
비중	1.442
색상	Colorless to Light yellow to Light orange
BRN	109887
InChI	InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H
InChIKey	FGYBDASKYMSNCX-UHFFFAOYSA-N
SMILES	C1(Cl)SC(Cl)=CC=1
NIST	Thiophene, 2,5-dichloro-(3172-52-9)
EPA	Thiophene, 2,5-dichloro- (3172-52-9)

화학적 성질

clear colorless to slightly yellow liquid

안전 및 규제

GHS 분류	DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H300 (13.3%): Fatal if swallowed [Danger Acute toxicity, oral]H341 (11.1%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]P203, P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P318, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Thiophene, 2,5-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	An irritantMay cause CNS depression[Acros Organics MSDS] See 2-Bromothiophene.
Hazard Classes and Categories	Flam. Liq. 3 (100%)Acute Tox. 2 (13.3%)Muta. 2 (11.1%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	2929
관세 코드	29349990
위험 문구(R)	40-26/27/28-36/37/38-20/21/22
위험 표시	T+,Xn
안전 문구(S)	45-36/37-28A-36-26
포장분류	II
위험 등급	6.1Flam. Liq. 3
저장 분류	3 - Flammable liquids

용도

2,5-Dichlorothiophene is mainly used as a pharmaceutical intermediate. It is used in the synthesis of 3,4-disubstituted thiophenes.