CAS 89796-22-5 1-(2-Bromoethyl)piperidine hydrobromide (HCID 12440783)

기본 정보

CAS: 89796-22-5
표준 SMILES: Br.BrCCN1CCCCC1
InChIKey: RIOIXQFVMBDUGI-UHFFFAOYSA-N
분자식: C7H15Br2N
평균 분자량: 273.01 g/mol
단동위원소 질량: 270.95712

이름 및 식별자

우선 이름: 1-(2-Bromoethyl)piperidine hydrobromide
IUPAC: 1-(2-bromoethyl)piperidine;hydrobromide
현지명: 1-(2-브로모-에틸)-피페리딘하이드로브로마이드
영어명: 1-(2-BROMO-ETHYL)-PIPERIDINE HYDROBROMIDE
분자식: C7H15Br2N
분자량: 273.01

이름 및 동의어

1-(2-Bromoethyl)piperidine hydrobromideRefChem:421665818-642-289796-22-5MFCD004633521-(2-bromoethyl)piperidine;hydrobromide1-(2-Bromoethyl)piperidine HBr1-(2-Bromo-ethyl)-piperidine hydrobromidePiperidine, 1-(2-bromoethyl)-, hydrobromide1-(2-Bromoethyl)piperidineHydrobromideSCHEMBL1846886DTXSID60498363

이름 더 보기

1-(2-브로모-에틸)-피페리딘하이드로브로마이드β-Piperidinoethyl bromide hydrobromide

RIOIXQFVMBDUGI-UHFFFAOYSA-NNSC194924AKOS016008831CS-W005524DS-4642NSC-194924beta-Piperidinoethyl bromide hydrobromideSY040485

데이터베이스 식별자

CAS: 89796-22-5
PubChem CID: 12440783
DTXSID: DTXSID60498363
EC Number: 818-642-2

물성

구조 계산 물성

극성 표면적: 3.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 69

물리화학적 성질

녹는점: 219 · 219-220 °C(Solv: ethanol (64-17-5))
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: InChI=1S/C7H14BrN.BrH/c8-4-7-9-5-2-1-3-6-9;/h1-7H2;1H
InChIKey: RIOIXQFVMBDUGI-UHFFFAOYSA-N
SMILES: N1(CCBr)CCCCC1.Br

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.