4-Bromotetrahydropyran

HCID 13349654CAS 25637-16-5

기본 정보

표준 SMILES: BrC1CCOCC1
InChIKey: IVBVKTPDEWDNRW-UHFFFAOYSA-N
분자식: C5H9BrO
평균 분자량: 165.03 g/mol
단동위원소 질량: 163.98367701

이름 및 식별자

우선 이름: 4-Bromotetrahydropyran
IUPAC: 4-bromooxane
영어명: 4-BROMO-TETRAHYDROPYRAN
분자식: C5H9BrO
분자량: 165.03

이름 및 동의어

4-BromotetrahydropyranRefChem:520573687-292-925637-16-54-bromooxane4-BROMO-TETRAHYDROPYRAN4-Bromotetrahydro-2H-pyran2H-Pyran, 4-bromotetrahydro-MFCD073715014-BROMOOXACYCLOHEXANE4-bromo-tetrahydro-2H-pyranDTXSID00537841

이름 더 보기

?CB02576734-Bromo-tetrahydropyran ,98%4-BroMotetrahydro-2H-pyra...4-BROMO-TETRAHYDROPYRAN ISO 9001：2015 REACH

CS-W003396GS-4332B5600EN300-1545174-BROMOTETRAHYROPYRAN5-HydroBC003718monobromo tetrahydropyran

데이터베이스 식별자

CAS: 25637-16-5
PubChem CID: 13349654
DTXSID: DTXSID00537841
EC Number: 687-292-9
Nikkaji: J3.543.919F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 7
형식 전하: 0
복잡도: 50

물리화학적 성질

끓는 점: 178 ℃ · 178℃
밀도: 1.467 g/cm3 · 1.467 g/cm3 at 25 °C
굴절률: 20 · n20/D1.497
인화점: 69 ℃ · 69℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
색상: 무색~황색~주황색
InChI: InChI=1S/C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey: IVBVKTPDEWDNRW-UHFFFAOYSA-N
SMILES: C1OCCC(Br)C1

화학적 성질

Light yellow liquid

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)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 2
HS 번호: 29321900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도Reactant for:Nickel-catalyzed alkyl-alkyl Suzuki coupling reactions with boron reagentsPreparation of a selective small-molecule melanocortin-4 receptor agonist with efficacy in a pilot study of sexual dysfunction in humansPreparation of aliphatic hydrocarbons via nickel-catalyzed Suzuki cross-coupling with alkylboranesPreparation of anthranilic acids as antibacterial agents with human serum albumin binding affinityPreparation of antiatherogenic antioxidant di-tert-butyldihydrobenzofuranols via Grignard reactions with di-tert-butyl(hydroxy)benzaldehyde derivativesSynthesis of gephyrotoxin via the Schmidt reaction