2,4-Dimethylthiophene

2,4-Dimethylthiophene · Thiophene, 2,4-dimethyl- · 2,4-Dimethylthiophene in isooctane · 2,4-dimethylthiophene CAS NO.638-00-6 · 2,4-DIMETHYLTHIOPHENE ISO 9001：2015 REACH · 2,4-Dimethylthiophene, 95%, for synthesis

https://huagongshe.com/ko/chemical/34296

식별자 및 물리적 특성

CAS No.	638-00-6
분자식	C6H8S
평균 분자량	112.19 g/mol
단동위원소 질량	112.03467126 g/mol
SMILES	Cc1csc(C)c1
InChIKey	CPULIKNSOUFMPL-UHFFFAOYSA-N
PubChem CID	34296
EC No.	211-312-3
DTXSID	DTXSID40213238

화학 및 물리적 성질

XLogP	2.4
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	61.2
SpringerMaterials Properties	Boiling point
끓는 점	139.00 to 141.00 °C. @ 760.00 mm Hg139-141°C
녹는점	-66.9°C (estimate)
밀도	0,994 g/cm3
굴절률	1.5078
저장 조건	Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
물리적 상태	액체 (추정)
헨리 상수	1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
InChI	InChI=1S/C6H8S/c1-5-3-6(2)7-4-5/h3-4H,1-2H3
InChIKey	CPULIKNSOUFMPL-UHFFFAOYSA-N
SMILES	C1(C)SC=C(C)C=1
LogP(분배 계수)	2.595 (est)

안전 및 규제

GHS 분류	DangerH225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 2 (33.3%)
운송 번호(UN)	1993
관세 코드	29349990
위험 문구(R)	10-36/37/38
안전 문구(S)	16-36/37/39-26
위험 등급	IRRITANT

용도

2,4-Dimethylthiophene is a biochemical used for proteomics and food research.