1-Octanol, 8-chloro-

HCID 90012CAS 23144-52-7

기본 정보

표준 SMILES: OCCCCCCCCCl
InChIKey: YDFAJMDFCCJZSI-UHFFFAOYSA-N
분자식: C8H17ClO
평균 분자량: 164.67 g/mol
단동위원소 질량: 164.09679284

이름 및 식별자

우선 이름: 1-Octanol, 8-chloro-
IUPAC: 8-chlorooctan-1-ol
영어명: 8-Chloro-1-octanol
분자식: C8H17ClO
분자량: 164.67

이름 및 동의어

8-Chloro-1-octanol23144-52-71-Octanol, 8-chloro-NSC 5514EINECS 245-451-6DTXSID7066859RefChem:76772DTXCID3036816YDFAJMDFCCJZSI-UHFFFAOYSA-N8-Chlorooctan-1-ol8-Chloro-octan-1-ol8-Chloro-1-n-octanol

이름 더 보기

1-Chlorooctan-88-chloro-1-octano1-Chlorooctan-8-ol8-Chlorooctane-1-ol

C8H17ClO8-CHLOROOCTANOLMFCD000400058-Chlor-octan-1-olMTB8K2EK3L8-chlor-1-octanolUNII-MTB8K2EK3LSCHEMBL135147

데이터베이스 식별자

CAS: 23144-52-7
PubChem CID: 90012
DTXSID: DTXSID7066859
UNII: MTB8K2EK3L
EC Number: 245-451-6
Nikkaji: J318.412I

물성

구조 계산 물성

XLogP: 2.6
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

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 129 · 129-130 °C/11 mmHg (lit.)
밀도: 0.976 g/mL · 0.976 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.458(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 15.19 · 15.19±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 0.976 · 0.976
색상: 무색의
InChI: InChI=1S/C8H17ClO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
InChIKey: YDFAJMDFCCJZSI-UHFFFAOYSA-N
SMILES: C(O)CCCCCCCCl
NIST: 8 · 8-Chloro-1-octanol(23144-52-7)
EPA: 1 · 1-Octanol, 8-chloro- (23144-52-7)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 14.3% (1 of 7) of reports.

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 7 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 (85.7%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29055900
risk_code: 36/37/38-36/38
hazard_code: Xi
safety_code: 37/39-26-24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

용도8-Chloro-1-octanol may be employed for the following studies:Biosynthesis of bacteriochlorophyll c derivatives, via esterification. Preparation of new macroporous triisobutylphosphine sulphide functionalized polymers.Synthesis of series of new mesogenic azomethine diols.Synthesis of bis(4-hydroxyoctoxyphenyl)sulfone (HOS).

일반 설명8-Chloro-1-octanol is a ω-chloro-1-alkanol.