클로로-3-메틸-2-부텐
1-Chloro-3-methyl-2-butene
기본 정보
- CAS
503-60-6- 표준 SMILES
CC(C)=CCCl- InChIKey
JKXQKGNGJVZKFA-UHFFFAOYSA-N- 분자식
- C5H9Cl
- 평균 분자량
- 104.58 g/mol
- 단동위원소 질량
- 104.039278
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-BUTENE503-60-6Prenyl chloride1-Chloro-3-methylbut-2-ene2-Butene, 1-chloro-3-methyl-3,3-Dimethylallyl chloride3-Methyl-2-butenyl chloride3-Methylcrotyl chlorideIsoprenyl chloridegamma,gamma-Dimethylallyl chloride4-Chloro-2-methyl-2-butene1-chloro-3-methyl-but-2-ene
이름 더 보기
1-클로로-3-메틸-2-뷰텐클로로-3-메틸-2-부텐Isopentenyl chloride-2-buteneIsoprenylchloridechloroisopentylene1-Chloro-3-methyl-2-3-methylcrotylchloride
KMT7V9LLBRUNII-KMT7V9LLBRHSDB 6129EINECS 207-972-7MFCD00000982.gamma.,.gamma.-Dimethylallyl chloride3-methyl-1-chloro-2-butene1-Chloro-3-methyl-2-butene (>85%)
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 Ų
- 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
Physical DescriptionColorless liquid; [MSDSonline]
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
Chemical: 2-Butene, 1-chloro-3-methyl-
REACH registered substance: 1-chloro-3-methylbut-2-ene (EC: 207-972-7)
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
화학 및 산업
용도 및 제조
General Manufacturing Information
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.
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