P-톨루엔술포닐메틸염화물

1-Chloromethanesulfonyl-4-methylbenzene

HCID 562845CAS 7569-26-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)CCl)cc1
InChIKey: ZQPJNJKCPJDTIQ-UHFFFAOYSA-N
분자식: C8H9ClO2S
평균 분자량: 204.67 g/mol
단동위원소 질량: 204.0011784

이름 및 식별자

우선 이름: 1-Chloromethanesulfonyl-4-methylbenzene
IUPAC: 1-(chloromethylsulfonyl)-4-methylbenzene
현지명: P-톨루엔술포닐메틸염화물
영어명: P-TOLUENESULFONYLMETHYL CHLORIDE
분자식: C8H9ClO2S
분자량: 204.68

이름 및 동의어

1-chloromethanesulfonyl-4-methylbenzeneRefChem:431496620-869-57569-26-81-((Chloromethyl)sulfonyl)-4-methylbenzenep-Toluenesulfonylmethyl ChlorideChloromethyl p-tolyl sulfone1-(chloromethylsulfonyl)-4-methylbenzeneTosylmethyl chlorideBenzene, 1-[(chloromethyl)sulfonyl]-4-methyl-MFCD00134281Enamine_005329

이름 더 보기

P-톨루엔술포닐메틸염화물TIMTEC-BB SBB000439Chloromethyl 4-tolylsulfone(p-Tolyl)(chloromethyl) sulfoneCHLOROMETHYL P-TOLYL SULFONE 99%Chloromethyl(4-methylphenyl) sulfone4-Methylphenyl(chloromethyl) sulfone

p-Tolyl chloromethyl sulfonep-Tolylsulfonylmethyl ChlorideSCHEMBL1149248DTXSID70340243chloro[(4-methylphenyl)sulfonyl]methane1-Chloromethanesulfonyl-4-methyl-benzene1-chloromethane-sulfonyl-4-methyl-benzene1-[(chloromethyl)sulfonyl]-4-methylbenzene

데이터베이스 식별자

CAS: 7569-26-8
PubChem CID: 562845
DTXSID: DTXSID70340243
EC Number: 620-869-5
Nikkaji: J129.165C

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 222

물리화학적 성질

녹는점: 83 °C · 83 °C
끓는 점: 346 · 346.0±42.0 °C(Predicted)
밀도: 1.288 · 1.288±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: 3 · sol THF, CHCl3, CH2Cl2, and most organic solvents
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesEye Dam. 1 (97.5%)

안전 데이터

HS 번호: 2904.10.1000
risk_code: 41
hazard_code: Xi
safety_code: 26-39

화학 및 산업

응용 분야

용도P-TOLUENESULFONYLMETHYL CHLORIDE is used for synthesis of α,β-epoxy sulfones and alkylated sulfones; reacts with electrophilic arenes and heterocyclic arenes; source of α-p-tolylsulfonyl radicals.