클로로-3-메틸-2-부텐

1-클로로-3-메틸-2-뷰텐 · 클로로-3-메틸-2-부텐 · 1-CHLORO-3-METHYLBUT-2-ENE · PRENYL CHLORIDE · Isopentenyl chloride · -2-butene · Isoprenylchloride · Isoprenyl chloride

https://huagongshe.com/ko/chemical/10429

식별자 및 물리적 특성

CAS No.	503-60-6
분자식	C5H9Cl
평균 분자량	104.58 g/mol
단동위원소 질량	104.03927797 g/mol
SMILES	CC(C)=CCCl
InChIKey	JKXQKGNGJVZKFA-UHFFFAOYSA-N
PubChem CID	10429
EC No.	207-972-7
DTXSID	DTXSID7060120
현지명	클로로-3-메틸-2-부텐

화학 및 물리적 성질

XLogP	2.3
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	1
무거운 원자 수	6
형식 전하	0
복잡도	51
물질 분류	Other Classes -> Halogenated Aliphatics, Unsaturated
SpringerMaterials Properties	Density
밀도	0.9273 @ 20 °C/4 °C0.928 g/mL at 25 °C (lit.)
용해도	INSOL IN WATERSOL IN ALCOHOL, ETHER, ACETONEVERY SOL IN CHLOROFORMsoluble in Chloroform, Ethyl Acetate
끓는 점	109 °C @ 760 MM HG58-59 °C/120 mmHg (lit.)
굴절률	INDEX OF REFRACTION: 1.4485 @ 20 °C/Dn20/D 1.4488(lit.)
Physical Description	Colorless liquid[MSDSonline]
인화점	56 °F
저장 조건	2-8°C
물리적 상태	투명한 액체
색상	무색~연황색
용해도	클로로포름, 아세톤, 디에틸 에테르 및 알코올과 혼합 가능합니다. 물과 섞이지 않습니다.
InChI	InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3
InChIKey	JKXQKGNGJVZKFA-UHFFFAOYSA-N
SMILES	C(Cl)/C=C(/C)\C
NIST	2-Butene, 1-chloro-3-methyl-(503-60-6)
EPA	2-Butene, 1-chloro-3-methyl- (503-60-6)

화학적 성질

Colorless Liquid

안전 및 규제

GHS 분류	DangerH225 (98.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 60 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: 2-Butene, 1-chloro-3-methyl-Status: Active Update: 18-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20883
유해성 요약	A skin and severe eye irritant[MSDSonline]
Hazard Classes and Categories	Flam. Liq. 2 (98.3%)
Toxicity Data	LC50 (rat) = 3,580 mg/m3
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 1993 3/PG 2
관세 코드	29032990
위험 문구(R)	11-36/37/38
위험 표시	F,Xi
안전 문구(S)	16-26-27-36/37/39
포장분류	III
위험 등급	3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
저장 분류	3 - Flammable liquids
유해 물질 데이터	503-60-6(Hazardous Substances Data)

용도

1-Chloro-3-methyl-2-butene is used in the synthesis of geraniol. It is also used as an alkylating agent and as a reagent in hyperforin. Further, it is used as an antibiotic to inhibit growth of tumor cells.

일반 설명

Kinetics of gas-phase reactions of ozone with 1-chloro-3-methyl-2-butene was studied. Reaction of 1-chloro-3-methyl-2-butene with potassium iodide in acetone and sodium ethoxide in ethanol was studied.