제라닐브로마이드

2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-

HCID 5365867CAS 6138-90-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)=CCC/C(C)=C/CBr
InChIKey: JSCUZAYKVZXKQE-JXMROGBWSA-N
분자식: C10H17Br
평균 분자량: 217.15 g/mol
단동위원소 질량: 216.05136264

이름 및 식별자

우선 이름: 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-
IUPAC: (2E)-1-bromo-3,7-dimethylocta-2,6-diene
현지명: 제라닐브로마이드
영어명: GERANYL BROMIDE
분자식: C10H17Br
분자량: 217.15

이름 및 동의어

Geranyl bromide6138-90-52,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-trans-geranyl bromideEINECS 228-123-72,6-Octadiene, 1-bromo-3,7-dimethyl-, (E)-(2E)-1-Bromo-3,7-dimethyl-2,6-octadieneDTXSID80884229RefChem:83377DTXCID801023683JSCUZAYKVZXKQE-JXMROGBWSA-N(E)-1-Bromo-3,7-dimethylocta-2,6-diene

이름 더 보기

제라닐브로마이드1-BROMO-3,7-DIMETHYL-2,6-OCTADIENE(E)-1-Bromo-3,7-dimethyl-2,6-octadieneDK843eranyLDKFELEX0220Geranylbromide,97%

(2E)-1-bromo-3,7-dimethylocta-2,6-dieneMFCD00000243GeranylbromideGeranyl Bromide (>80%)trans-Geranyl bromide;(2E)-Geranyl bromide(E)-geranyl bromide(2E)-Geranyl bromideGeranyl bromide, 95%

데이터베이스 식별자

CAS: 6138-90-5
PubChem CID: 5365867
DTXSID: DTXSID80884229
UNII: FG8US6W9BB
EC Number: 228-123-7
Nikkaji: J29.188I、J798.254B

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 150

물리화학적 성질

끓는 점: 101 · 101-102 °C12 mm Hg(lit.)
밀도: 1.094 g/mL · 1.094 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.504(lit.)
인화점: 203 °F · 203 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 기름
색상: Clear Yellow to Pale Orange
수용성: 물과 섞이지 않습니다.
BRN: 1422412 · 1422412
InChI: 1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
InChIKey: JSCUZAYKVZXKQE-JXMROGBWSA-N
SMILES: C\C(C)=C\CC\C(C)=C\CBr
EPA: 2 · 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)- (6138-90-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 2810
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1(b)
F 고인화성물질: 8-10-19
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-: INACTIVE

응용 분야 · 2건

용도Geranyl bromide is used for the preparation of 3,7-dihydroxyflavone derivatives and baicalein. It is also involved in the synthesis of potential flavonoidic modulators of P-glycoprotein activity. Further, it reacts with benzenesulfinic acid to prepare geranyl phenyl sulfone. In addition to this, it takes part in the palladium catalyzed cross coupling with aryl and alkenylgold(I) phosphanes.

일반 설명Geranyl bromide undergoes palladium catalyzed cross-coupling reaction with aryl and alkenylgold(I) phosphanes.