1-Pentene, 5-bromo- (HCID 70704)

이름 및 식별자

우선 이름: 1-Pentene, 5-bromo-
IUPAC: 5-bromopent-1-ene
현지명: 5-브로모-1-펜텐
영어명: 5-Bromo-1-pentene
분자식: C5H9Br
분자량: 149.03

이름 및 동의어

5-Bromo-1-pentene1119-51-35-Bromopent-1-ene1-Pentene, 5-bromo-EINECS 214-281-4DTXSID70615125Bromopent1ene1Pentene, 5bromoRefChem:435416DTXCID6033249214-281-4InChI=1/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H

이름 더 보기

5-브로모-1-펜텐5c3-Pentenylbromide5-bC5H9Br5-bromo-1-penten-Bromo-1-pentene5-BROMOPENTENE-1

1-Bromo-4-pentene4-Pentenyl bromide5-Bromopentene5-bromo-pent-1-eneMFCD000002641-Bromo-4-pentene; 4-Pentenyl Bromide;5-bromo-pentenePent-4-enyl bromide

데이터베이스 식별자

CAS: 1119-51-3
PubChem CID: 70704
DTXSID: DTXSID7061512
UNII: 52KT8WE89J
EC Number: 214-281-4
Nikkaji: J97.476E

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 3
무거운 원자 수: 6
형식 전하: 0
복잡도: 32.9

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Unsaturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: -106.7 °C · -106.7°C (estimate)
끓는 점: 126 · 126-127 °C/765 mmHg (lit.)
밀도: 1.258 g/mL · 1.258 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.463(lit.)
인화점: 30 °C · 30 °C
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 기름
색상: 투명 무색
Specific Gravity: 1.258 · 1.258
수용성: 물과 섞이지 않습니다.
BRN: 506077 · 506077
InChI: 1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2
InChIKey: LPNANKDXVBMDKE-UHFFFAOYSA-N
SMILES: BrCCCC=C
NIST: 1 · 1-Pentene, 5-bromo-(1119-51-3)
EPA: 1 · 1-Pentene, 5-bromo- (1119-51-3)

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 55 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 28-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19865

5-Bromo-1-pentene: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Allyl iodide and Allyl bromide. See 3,4-Dichloro-1-butene and 3-Chloro-2-methyl-1-propene.

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
HS 번호: 29033036
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 26-24/25-16
포장분류: II
위험 등급: 3
기존화학 물질: KE-03698
F 고인화성물질: 8
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Pentene, 5-bromo-: ACTIVE

응용 분야 · 2건

개요5-Bromo-1-pentene is an organic compound with a molecular weight of 149.03. The formula of this compound is C5H9Br. It is a colorless, transparent liquid. The molecular structure of this molecule contains both double bonds and bromine atoms, giving it the properties of olefins and halogenated hydrocarbons. It serves as the starting material for the synthesis of DL-histrionicotoxin and phenyl-ketone fatty acids. Additionally, it is a fundamental chemical and pharmaceutical intermediate, finding wide applications in the fields of medicine, pesticides, and material chemistry.

용도5-Bromo-1-pentene is widely utilized in the stereoselective synthesis of 7alpha-(3-carboxypropyl) estradiol. It plays an important role as starting material in the synthesis of a variety of compounds including DL-histrionicotoxin and benzophenone containing fatty acids.