3-플루오로프로필P-톨루엔술폰산염

3-Fluoroprop-1-yl toluene-4-sulphonate

HCID 6366774

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 312-68-5
표준 SMILES: Cc1ccc(S(=O)(=O)OCCCF)cc1
InChIKey: PYCKJIAEKJWSKM-UHFFFAOYSA-N
분자식: C10H13FO3S
평균 분자량: 232.27 g/mol
단동위원소 질량: 232.0569435

이름 및 식별자

우선 이름: 3-Fluoroprop-1-yl toluene-4-sulphonate
IUPAC: 3-fluoropropyl 4-methylbenzenesulfonate
현지명: 3-플루오로프로필P-톨루엔술폰산염
영어명: 3-Fluoropropyl p-toluenesulfonate
분자식: C10H13FO3S
분자량: 232.27

이름 및 동의어

3-Fluoroprop-1-yl toluene-4-sulphonateRefChem:502002695-356-23-fluoropropyl 4-methylbenzenesulfonate312-68-53-Fluoropropyl p-toluenesulfonate3-FLUOROPROPYL TOSYLATE3-Fluoro-1-propanol 1-tosylateMFCD016580623-fluoropropyl 4-methylbenzene-1-sulfonate3-Fluoropropyl p-toluenesulphonate3-Fluoropropyl 4-methylbe

이름 더 보기

3-플루오로프로필P-톨루엔술폰산염1-Propanol, 3-fluoro-,1-(4-methylbenzenesulfonate)3-Fluoroprop-1-yl 4-methylbenzenesulphonate, 3-Fluoroprop-1-yl tosylate

fluoropropyl tosylate3-fluoropropyltosylate3-Fluoroprop-1-yl 4-methylbenzenesulphonateSCHEMBL57036NIOSH/DB7151500DTXSID40422868PYCKJIAEKJWSKM-UHFFFAOYSA-N3-fluoropropyl4-methylbenzenesulfonate

데이터베이스 식별자

CAS: 312-68-5
PubChem CID: 6366774
DTXSID: DTXSID40422868
EC Number: 695-356-2
Nikkaji: J1.092.258E

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 51.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 15
형식 전하: 0
복잡도: 263

물리화학적 성질

끓는 점: 160 °C · 160 °C(Press: 2 Torr)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
색상: 투명한
InChI: InChI=1S/C10H13FO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3
InChIKey: PYCKJIAEKJWSKM-UHFFFAOYSA-N
SMILES: C(OS(C1=CC=C(C)C=C1)(=O)=O)CCF

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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: 2905599890

화학 및 산업

응용 분야 · 1건

용도3-Fluoropropyl Tosylate is the tosyl protected form of 3-Fluoropropan-1-ol (F598605); a reagent used to synthesize fluorinated amino acids (e.g. DL-erythro-4-Fluoroglutamine [F591630]) and labelled N-desmethyl-loperamide analogues which have potential use as imaging radiotracers.