2-(3-Bromopropoxy)tetrahydro-2H-pyran

HCID 2777988

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 33821-94-2
표준 SMILES: BrCCCOC1CCCCO1
InChIKey: HJNHUFQGDJLQRS-UHFFFAOYSA-N
분자식: C8H15BrO2
평균 분자량: 223.11 g/mol
단동위원소 질량: 222.02554182

이름 및 식별자

우선 이름: 2-(3-Bromopropoxy)tetrahydro-2H-pyran
IUPAC: 2-(3-bromopropoxy)oxane
영어명: 2-(3-Bromopropoxy)tetrahydro-2H-pyran
분자식: C8H15BrO2
분자량: 223.11

이름 및 동의어

2-(3-Bromopropoxy)tetrahydro-2H-pyran33821-94-2DTXSID70380745RefChem:455290DTXCID50331770695-348-92-(3-bromopropoxy)oxane2-(3-BROMOPROPOXY)TETRAHYDROPYRAN2-(3-Bromopropoxy)-tetrahydro-2H-pyranMFCD00058593C8H15BrO21-bromo-3-tetrahydropyranyloxypropane

이름 더 보기

AURORA KA-67292-(3-Bomopropoxy)oxane2-(3-Bromopropoxy)Tetrahydro-23-broMopropyltetrahydropyranylether2-(Bromopropoxy)tetrahydro-2H-pyran3-Bromo-O-tetrahydropyranyl-propanol2-(3-bromopropoxy)tetrahydro-1H-pyran

2-(3-Bromo-propoxy)-tetrahydro-pyran1-Bromo-3-(tetrahydropyranyloxy)propane2H-Pyran, 2-(3-bromopropoxy)tetrahydro-A5996SCHEMBL56755orb31754361-bromo-3-(2-oxanyloxy)propaneHJNHUFQGDJLQRS-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 33821-94-2
PubChem CID: 2777988
DTXSID: DTXSID70380745
EC Number: 695-348-9
Nikkaji: J1.431.163G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 11
형식 전하: 0
복잡도: 98.1

물리화학적 성질

끓는 점: 64.5 °C/0.8 · 64.5 °C/0.8 mmHg (lit.)
밀도: 1.317 g/mL · 1.317 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.478(lit.)
인화점: 222 °F · 222 °F
저장 조건: -20 °C · -20°C
물리적 상태: liquid
BRN: 106236 · 106236
InChI: InChI=1S/C8H15BrO2/c9-5-3-7-11-8-4-1-2-6-10-8/h8H,1-7H2
InChIKey: HJNHUFQGDJLQRS-UHFFFAOYSA-N
SMILES: C1(OCCCBr)OCCCC1

화학적 성질

Clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): 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)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.