6-Chloro-1-hexanol (HCID 74828)

이름 및 식별자

우선 이름: 6-Chloro-1-hexanol
IUPAC: 6-chlorohexan-1-ol
영어명: 6-Chlorohexanol
분자식: C6H13ClO
분자량: 136.62

이름 및 동의어

6-Chloro-1-hexanol6-Chlorohexan-1-ol2009-83-86-Chlorohexanol1-Hexanol, 6-chloro-1-Chloro-6-hydroxyhexaneHexamethylene chlorohydrin1-Chloro-6-hexanolomega-ChlorohexanolT2HIT6N5UFNSC 3700EINECS 217-925-2

이름 더 보기

Chlorohexanol6-Chlor-1-Hexanol6-Chlorohexyl alcoholDICFC6H13CLOChloro-1-hexa

DTXSID4049240BRN 1697307AI3-61541NSC-3700EC 217-925-24-01-00-01704 (Beilstein Handbook Reference).OMEGA.-CHLOROHEXANOLDTXCID6029096

데이터베이스 식별자

CAS: 2009-83-8
PubChem CID: 74828
DTXSID: DTXSID4049240
ChEMBL: CHEMBL2260959
UNII: T2HIT6N5UF
EC Number: 217-925-2
Nikkaji: J25.055D

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 8
형식 전하: 0
복잡도: 39

물리화학적 성질

녹는점: 102 °C · 102 °C
끓는 점: 108 · 108-112 °C14 mm Hg(lit.)
밀도: 1.024 g/mL · 1.024 g/mL at 25 °C(lit.)
증기압: 1.066 hPa · 1.066hPa at 21.1℃
굴절률: 20 · n20/D 1.456(lit.)
인화점: 210 °F · 210 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 디메틸포름아미드에 용해됩니다.
물리적 상태: 액체
산도 계수 (pKa): 15.17 · 15.17±0.10(Predicted)
색상: 무색~담황색 투명
Specific Gravity: 1.024 · 1.024
수용성: 11.3 g/L · 11.3g/L at 20℃
BRN: 1697307 · 1697307
InChI: 1S/C6H13ClO/c7-5-3-1-2-4-6-8/h8H,1-6H2
InChIKey: JNTPTNNCGDAGEJ-UHFFFAOYSA-N
SMILES: OCCCCCCCl
LogP: 1.86 at · 1.86 at 30℃
NIST: 1 · 1-Hexanol, 6-chloro-(2009-83-8)
EPA: 1 · 1-Hexanol, 6-chloro- (2009-83-8)

화학적 성질

clear colorless to pale yellow liquid

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: MO9160000
ridadr: 2810
독성: mouse,LD50,intraperitoneal,> 100mg/kg (100mg/kg),Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.
HS 번호: 29055900
risk_code: 20/21-36/38-36/37/38-20/21/22
hazard_code: Xn,Xi
safety_code: 26-36/37-36/37/39
위험 등급: IRRITANT
기존화학 물질: 2012-3-5462
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도6-Chloro-1-hexanol is used in the preparation of its corresponding bromide by reaction with sodium bromide using N,N-dimethylformamide and dibromomethane (2:1) as a solvent. It is utilized in the selective elimination of 6-chloro-1-hexene from esters of 6-chloro-1-hexanol.

제조 방법 · 1건

6-Chlorohexanol can be prepared by the reaction of 1,6-hexanediol with hydrochloric acid without the use of a catalyst or cuprous chloride. It can also be synthesised by reacting 2,6-dichlorophenol with hydrochloric acid and sodium hydroxide in the presence of azobenzene.