1-Octanol, 8-bromo-

HCID 162607CAS 50816-19-8

기본 정보

표준 SMILES: OCCCCCCCCBr
InChIKey: GMXIEASXPUEOTG-UHFFFAOYSA-N
분자식: C8H17BrO
평균 분자량: 209.12 g/mol
단동위원소 질량: 208.04627726

이름 및 식별자

우선 이름: 1-Octanol, 8-bromo-
IUPAC: 8-bromooctan-1-ol
영어명: 8-Bromo-1-octanol
분자식: C8H17BrO
분자량: 209.12

이름 및 동의어

8-Bromo-1-octanol50816-19-81-Octanol, 8-bromo-EINECS 256-785-7DTXSID4068589RefChem:76771DTXCID0040917GMXIEASXPUEOTG-UHFFFAOYSA-N8-Bromooctan-1-ol8-BromooctanolOctamethylene bromohydrinMFCD00010388

이름 더 보기

S,10008-bromo-1-octano8-Bromo-1-actanol8-BroMo-1-oCLanol1-bromo-octan-8-ol

C8H17BrO8-bromo-octan-1-ol8-Bromo-1-octanol, 95%GEO-04211AS-19044BP-26140SY0194658-bromooctane-1-ol

데이터베이스 식별자

CAS: 50816-19-8
PubChem CID: 162607
DTXSID: DTXSID4068589
EC Number: 256-785-7
Nikkaji: J422.550C

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 7
무거운 원자 수: 10
형식 전하: 0
복잡도: 57.2

물리화학적 성질

끓는 점: 79 · 79-80 °C/0.07 mmHg (lit.)
밀도: 1.22 g/mL · 1.22 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.480(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(적게), 에틸아세테이트(약간)에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 15.19 · 15.19±0.10(Predicted)
색상: 무색
Specific Gravity: 1.22 · 1.22
BRN: 1900837 · 1900837
InChI: InChI=1S/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
InChIKey: GMXIEASXPUEOTG-UHFFFAOYSA-N
SMILES: C(O)CCCCCCCBr
NIST: 8 · 8-Bromo-1-octanol(50816-19-8)
EPA: 1 · 1-Octanol, 8-bromo- (50816-19-8)

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (20%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29055900
risk_code: 36-38
safety_code: 23-24/25-37-26
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing Information1-Octanol, 8-bromo-: ACTIVE

응용 분야 · 1건

용도It is used to produce 8-phenylselanyl-octan-1-ol by reaction with diphenyl-diselane. The reaction occurs with reagent sodium borohydride and solvent ethanol at ambient temperature. The yield is about 96%. 8-Bromo-1-octanol was used in the synthesis of (E)-10-hydroxy-2-decenoic acid (royal jelly acid)1. It was also used in the synthesis of (Z)-14-methyl-9-pentadecenoic acid.