1-Chloro-3-methyl-2-butene (HCID 10429)

이름 및 식별자

우선 이름: 1-Chloro-3-methyl-2-butene
IUPAC: 1-chloro-3-methylbut-2-ene
현지명: 클로로-3-메틸-2-부텐
영어명: 1-Chloro-3-methyl-2-butene
분자식: C5H9Cl
분자량: 104.58

이름 및 동의어

1-CHLORO-3-METHYL-2-BUTENE503-60-61-Chloro-3-methylbut-2-enePrenyl chloride2-Butene, 1-chloro-3-methyl-3,3-Dimethylallyl chloride3-Methyl-2-butenyl chloride3-Methylcrotyl chloride1-chloro-3-methyl-but-2-eneKMT7V9LLBRUNII-KMT7V9LLBRHSDB 6129

이름 더 보기

1-클로로-3-메틸-2-뷰텐클로로-3-메틸-2-부텐Isopentenyl chloride-2-buteneIsoprenylchloridechloroisopentylene1-Chloro-3-methyl-2-3-methylcrotylchloride

gamma,gamma-Dimethylallyl chlorideIsoprenyl chlorideEINECS 207-972-74-Chloro-2-methyl-2-buteneMFCD00000982.gamma.,.gamma.-Dimethylallyl chloride1-Chloro-3-methyl-2-butene (>85%)prenylchloride

데이터베이스 식별자

CAS: 503-60-6
PubChem CID: 10429
DTXSID: DTXSID7060120
UNII: KMT7V9LLBR
EC Number: 207-972-7
Nikkaji: J29.181A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 51

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated

SpringerMaterials PropertiesDensity

Density0.9273 @ 20 °C/4 °C

SolubilityINSOL IN WATER; SOL IN ALCOHOL, ETHER, ACETONE; VERY SOL IN CHLOROFORM

Boiling Point109 °C @ 760 MM HG

Refractive IndexINDEX OF REFRACTION: 1.4485 @ 20 °C/D

물리화학적 성질

끓는 점: 58 · 58-59 °C/120 mmHg (lit.)
밀도: 0.928 g/mL · 0.928 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4488(lit.)
인화점: 56 °F · 56 °F
저장 조건: 2 · 2-8°C
용해도: soluble in Chloroform, Ethyl Acetate
물리적 상태: 투명한 액체
색상: 무색~연황색
수용성: 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 · 2-Butene, 1-chloro-3-methyl-(503-60-6)
EPA: 2 · 2-Butene, 1-chloro-3-methyl- (503-60-6)

화학적 성질

Colorless Liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (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.

유해성 정보

Regulatory Information · 2건

Chemical: 2-Butene, 1-chloro-3-methyl-

Status: Active Update: 18-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20883

Hazards SummaryA skin and severe eye irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 2 (98.3%)

독성 정보

Toxicity DataLC50 (rat) = 3,580 mg/m3

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 2
HS 번호: 29032990
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-27-36/37/39
포장분류: III
위험 등급: 3
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids
유해 물질 데이터: 503-60-6(Hazardous Substances Data)

화학 및 산업

용도 및 제조

General Manufacturing Information · 6건

2-Butene, 1-chloro-3-methyl-: ACTIVE

THE PREPN & USE OF 5-OXA-2-METHYL-7-PHENYL-2-HEPTENE IN PERFUME COMPOSITIONS IS DESCRIBED.

THE INSECT ATTRACTANT CONTAINS ADDUCTS OF ISOPRENE & HYDROCHLORIC ACID, WHICH ARE EFFECTIVE TO BEE & HORSEFLY. 100 ML ISOPRENE IS TREATED WITH 0.55 MOLE EQUIV OF HYDROCHLORIC ACID @ 0 °C TO GIVE THE ADDUCT, WHICH IS A MIXT CONTAINING 63% 3-CHLORO-3-METHYL-1-BUTENE, 32% 1-CHLORO-3-METHYL-2-BUTENE, & OTHER MINOR COMPONENTS.

SUBSTITUTED CYCLOHEXANE OR CYCLOHEXENE ALC OR KETONES ARE PREPD & USED AS ODOR-MODIFYING INGREDIENTS IN PERFUMES.

TERPENE ALCOHOLS ARE ANTIFOULING AGENTS.

TERPENE CARBONYLS AS BACTERICIDES AND FUNGICIDES

응용 분야

용도1-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 설명Kinetics 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.