CAS 837-12-7 1-(4-Bromophenylsulfonyl)-4-methylpiperazine (HCID 710729)

기본 정보

CAS: 837-12-7
표준 SMILES: CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIKey: CBNDEXDYZUNXBF-UHFFFAOYSA-N
분자식: C11H15BrN2O2S
평균 분자량: 319.22 g/mol
단동위원소 질량: 318.00376082

이름 및 식별자

우선 이름: 1-(4-Bromophenylsulfonyl)-4-methylpiperazine
IUPAC: 1-(4-bromophenyl)sulfonyl-4-methylpiperazine
현지명: 1-[(4-브로모페닐)설포닐]-4-메틸피페라진
영어명: 1-[(4-bromophenyl)sulfonyl]-4-methylpiperazine
분자식: C11H15BrN2O2S
분자량: 319.22

이름 및 동의어

837-12-71-(4-BROMOPHENYLSULFONYL)-4-METHYLPIPERAZINE1-((4-Bromophenyl)sulfonyl)-4-methylpiperazine1-[(4-bromophenyl)sulfonyl]-4-methylpiperazine1-(4-bromophenyl)sulfonyl-4-methylpiperazine1-[(4-bromobenzene)sulfonyl]-4-methylpiperazineMFCD005955221-(4-bromobenzenesulfonyl)-4-methylpiperazine1-bromo-4-[(4-methylpiperazinyl)sulfonyl]benzeneCerep_003833TimTec1_0008941-(4-Bromo-benzenesulfonyl)-4-methyl-piperazine

이름 더 보기

1-[(4-브로모페닐)설포닐]-4-메틸피페라진4-((4-Bromophenyl)sulfonyl)-4-methylpiperazinePiperazine, 1-[(4-bromophenyl)sulfonyl]-4-methyl-

Oprea1_125382Oprea1_443452JHICC02070SCHEMBL1156725NIOSH/TL0195100HMS537P15DTXSID40351821CBNDEXDYZUNXBF-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 837-12-7
PubChem CID: 710729
DTXSID: DTXSID40351821
EC Number: 169-461-4

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 49 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 339

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature

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.