Methyl phenyl sulfone

HCID 18369CAS 3112-85-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CS(=O)(=O)c1ccccc1
InChIKey
JCDWETOKTFWTHA-UHFFFAOYSA-N
분자식
C7H8O2S
평균 분자량
156.2 g/mol
단동위원소 질량
156.0245005

이름 및 식별자

우선 이름
Methyl phenyl sulfone
IUPAC
methylsulfonylbenzene
영어명
Methyl phenyl sulfone
분자식
C7H8O2S
분자량
156.2

이름 및 동의어

METHYL PHENYL SULFONE3112-85-4(Methylsulfonyl)benzeneBenzene, (methylsulfonyl)-Phenyl methyl sulfoneSulfone, methyl phenyl(Phenylsulfonyl)methane(Methylsulphonyl)benzeneNSC 41587150B65AI4OEINECS 221-476-8BRN 1906914
이름 더 보기
Ethephon Impurity 7sulfone,methylphenylMETHYL PHENYL SULPHONEMethylPhenylSulfone>Methayl phenol sulfone(methylsulfonyl)-benzen
NSC-415874-06-00-01468 (Beilstein Handbook Reference)DTXSID1075228RefChem:818039DTXCID8038302Benzene, (methylsulfonyl)-(9CI)InChI=1/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1Hmethylsulfonylbenzene

데이터베이스 식별자

CAS
3112-85-4
PubChem CID
18369
DTXSID
DTXSID1075228
ChEMBL
CHEMBL116841
UNII
150B65AI4O
EC Number
221-476-8
Nikkaji
J43.505H

물성

구조 계산 물성

XLogP
0.5
극성 표면적
42.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
10

실험 및 물리화학적 성질

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점
85 · 85-87 °C
끓는 점
250.45 °C · 250.45°C (rough estimate)
밀도
1.2474 · 1.2474 (rough estimate)
굴절률
1.5248 · 1.5248 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
sol ethanol, benzene.

화학적 성질

white crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (95.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (95.8%)

안전 데이터

wgk
3
rtecs
WR6800000
HS 번호
29309090
risk_code
22
hazard_code
Xn,Xi
safety_code
22-24/25

화학 및 산업

응용 분야

개요Methyl phenyl sulfone is usually used in the lithiated form and reacts with a variety of electrophiles.

용도Methyl phenyl sulfone, a versatile building block for the construction of chemicals with diverse functionalities

제조 방법 · 1건

Methyl phenyl sulfone is prepared by the reaction of Sodium Benzenesulfinate with Dimethyl Sulfate; by oxidation of methyl phenyl sulfide with 30% Hydrogen Peroxide in acetic acid; or by the reaction of polymer-supported benzenesulfinate anion with Iodomethane in refluxing benzene.

상·하류 제품 정보

공급사50 곳

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