2-Fluoroethyl p-Toluenesulfonate

HCID 256019CAS 383-50-6

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)OCCF)cc1
InChIKey: XNRDLSNSMTUXBV-UHFFFAOYSA-N
분자식: C9H11FO3S
평균 분자량: 218.25 g/mol
단동위원소 질량: 218.04129343

이름 및 식별자

우선 이름: 2-Fluoroethyl p-Toluenesulfonate
IUPAC: 2-fluoroethyl 4-methylbenzenesulfonate
영어명: 2-Fluoroethyl 4-methylbenzenesulfonate
분자식: C9H11FO3S
분자량: 218.25

이름 및 동의어

2-fluoroethyl p-toluenesulfonateRefChem:472637834-543-72-fluoroethyl 4-methylbenzenesulfonate383-50-62-Fluoroethyl tosylateMFCD016580612-Fluoroethyltosylatep-Toluenesulfonic acid 2-fluoroethyl esterToluene-4-sulfonic acid 2-fluoroethyl ester2-FLUOROETHYL 4-METHYLBENZENE-1-SULFONATEp-Toluenesulfonic acid, 2-fluoroethyl ester

이름 더 보기

Fluoroethylp-tosylateL-TRYPTOPHAN/D-TRYPTOPHAN2-Fluoroethyl 4-methylbenFLUOROETHYL 4-TOLUENESULFONATEFluoroethyl p-toluenesulfonate2-Fluoro-ethanol 1-( tosylate)

2-fluoroethyl-p-toluenesulfonate1-(4-methylphenylsulfonyloxy)-2-fluoroethaneToluene-4-sulfonic acid 2-fluoro-ethyl ester2-FLUOROETHANOL TOSYLATE2-Fluoroethyl p-toluenesulphonateETHANOL,2-FLUORO-,1-(4-METHYLBENZENESULFONATE)fluoroethyltosylatefluoroethyl tosylate

데이터베이스 식별자

CAS: 383-50-6
PubChem CID: 256019
DTXSID: DTXSID80292385
EC Number: 834-543-7
Nikkaji: J1.846.600G

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 250

물리화학적 성질

끓는 점: 140 °C/1mmHg · 140°C/1mmHg(lit.)
밀도: 1.29 g/cm3 · 1.290 g/cm3
굴절률: 1.506 to · 1.5060 to 1.5100
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색투명~엷은 갈색
InChI: InChI=1S/C9H11FO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,6-7H2,1H3
InChIKey: XNRDLSNSMTUXBV-UHFFFAOYSA-N
SMILES: C(OS(C1=CC=C(C)C=C1)(=O)=O)CF

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2930909899

화학 및 산업

응용 분야

용도2-Fluoroethyl Tosylate is an intermediate used in the preparation and pre-clinical evaluation of new class of high-affinity 18F-labeled PSMA ligands for detection of prostate cancer by positron emission tomography (PET) imaging.