2-(2-Fluorophenyl)ethan-1-ol

HCID 2733296CAS 50919-06-7

기본 정보

표준 SMILES: OCCc1ccccc1F
InChIKey: HNIGZVZDWCTFPR-UHFFFAOYSA-N
분자식: C8H9FO
평균 분자량: 140.15 g/mol
단동위원소 질량: 140.06374313

이름 및 식별자

우선 이름: 2-(2-Fluorophenyl)ethan-1-ol
IUPAC: 2-(2-fluorophenyl)ethanol
영어명: 2-Fluorophenethyl alcohol
분자식: C8H9FO
분자량: 140.16

이름 및 동의어

2-(2-fluorophenyl)ethan-1-olRefChem:453890670-569-32-(2-fluorophenyl)ethanol50919-06-72-Fluorophenethyl alcoholBenzeneethanol, 2-fluoro-MFCD00002887o-Fluorophenethyl alcoholSCHEMBL6252202-(2-Fluorophenyl)ethyl AlcoholDTXSID50369831

이름 더 보기

2-Fluorobenzeneethanol2-(O-FLUOROPHENYL)ETHANOL2-fluoro-2-phenylethan-1-ol2-(2-Fluorophenyl)ethanol>2-Fluorophenethyl alcohol,99%2-Fluorophenethyl alcohol 99%

CS-W016461SY021828TS-01829F0778Z3975873822-fluorophenethylalcohol2-(2-fluoro-phenyl)-ethanolA24130

데이터베이스 식별자

CAS: 50919-06-7
PubChem CID: 2733296
DTXSID: DTXSID50369831
EC Number: 670-569-3
Nikkaji: J267.328B

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.3

물리화학적 성질

끓는 점: 72 °C · 72°C 1mm
밀도: 1.045 g/mL · 1.045 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.509(lit.)
인화점: 209 °F · 209 °F
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.68 · 14.68±0.10(Predicted)
물리적 상태: 액체
Specific Gravity: 1.045 · 1.045
색상: 무색의
InChI: InChI=1S/C8H9FO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,10H,5-6H2
InChIKey: HNIGZVZDWCTFPR-UHFFFAOYSA-N
SMILES: C1(CCO)=CC=CC=C1F

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (25%)

안전 데이터

wgk: 3
HS 번호: 29062990
risk_code: 36/37/38-21/22-34
hazard_code: Xn,Xi,C
safety_code: 36/37/39-26-45-27-37-23
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-(2-Fluorophenyl)ethanol is a useful synthetic intermediate. It is used to prepare phenethyl ester derivative analogs of the C-terminal tetrapeptide of gastrin as potent gastrin antagonists.