CAS 65325-68-0 (Fluoromethanesulfinyl)benzene (HCID 325133)

기본 정보

CAS: 65325-68-0
표준 SMILES: O=S(CF)c1ccccc1
InChIKey: TYZNITMSELMDCT-UHFFFAOYSA-N
분자식: C7H7FOS
평균 분자량: 158.2 g/mol
단동위원소 질량: 158.02016406

이름 및 식별자

우선 이름: (Fluoromethanesulfinyl)benzene
IUPAC: fluoromethylsulfinylbenzene
영어명: Nsc293053
분자식: C7H7FOS
분자량: 158.19

이름 및 동의어

65325-68-0(Fluoromethanesulfinyl)benzeneDTXSID10315197RefChem:210493DTXCID40266320((fluoromethyl)sulfinyl)benzeneBenzene,[(fluoromethyl)sulfinyl]-fluoromethylsulfinylbenzeneNSC293053ghl.PD_Mitscher_leg0.486SCHEMBL778068monofluoromethyl phenyl sulfoxide

이름 더 보기

Benzene, [(fluoromethyl)sulfinyl]-

TYZNITMSELMDCT-UHFFFAOYSA-NQCA32568AKOS032961541NSC-293053F70495

데이터베이스 식별자

CAS: 65325-68-0
PubChem CID: 325133
DTXSID: DTXSID10315197
Nikkaji: J331.194E

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 121

물리화학적 성질

녹는점: 0.3 °C · 0.3 °C
끓는 점: 283.1 · 283.1±15.0 °C(Predicted)
밀도: 1.29 · 1.29±0.1 g/cm3(Predicted)
굴절률: 1.5375 · 1.5375
용해도: 2 Cl2, · sol THF, CH2Cl2, CHCl3.

화학 및 산업

응용 분야

용도Fluoromethyl Phenyl Sulfoxide is used for synthesis of fluoro ketones, fluoroalkenes, and aziridines.

제조 방법 · 1건

Fluoromethyl Phenyl Sulfoxide is prepared by the oxidation of Fluoromethyl Phenyl Sulfide with either N-Bromosuccinimide or m-Chloroperbenzoic Acid (eq 1).[1c-f] Studies of the structure of fluoro(phenylsulfinyl)methyllithium, investigated by NMR, suggest that lithium is bound to oxygen, rather than to the α-carbon atom.[2]