CAS 58328-39-5 5-Bromo-2,3-dihydro-1,4-benzodioxine (HCID 18787268)

기본 정보

CAS: 58328-39-5
표준 SMILES: Brc1cccc2c1OCCO2
InChIKey: NGOZRIZXELGVHK-UHFFFAOYSA-N
분자식: C8H7BrO2
평균 분자량: 215.04 g/mol
단동위원소 질량: 213.96294156

이름 및 식별자

우선 이름: 5-Bromo-2,3-dihydro-1,4-benzodioxine
IUPAC: 5-bromo-2,3-dihydro-1,4-benzodioxine
현지명: 5-BROMO-2,3-DIHYDRO-1,4-벤조디옥산
영어명: 5-Bromo-2,3-dihydro-1,4-benzodioxane
분자식: C8H7BrO2
분자량: 215.04

이름 및 동의어

58328-39-55-Bromo-2,3-dihydro-1,4-benzodioxineDTXSID30596264RefChem:301497DTXCID00547026681-013-45-BROMO-2,3-DIHYDRO-1,4-BENZODIOXANE5-BROMO-1,4-BENZODIOXANE5-bromo-2,3-dihydrobenzo[b][1,4]dioxineMFCD030950291,4-Benzodioxin, 5-bromo-2,3-dihydro-SCHEMBL4564550

이름 더 보기

5-BROMO-2,3-DIHYDRO-1,4-벤조디옥산5-Bromo-1,4-benzodioxane, 95%2,3-Ethylenedioxy-1-bromobenzene5-Bromo-2,3-dihydro-1,4-benzodioxane 96%

NGOZRIZXELGVHK-UHFFFAOYSSCHEMBL3345615SCHEMBL11023512NGOZRIZXELGVHK-UHFFFAOYSA-NAKOS0158358905-bromo-2,3-dihydrobenzo[1,4]dioxinBS-20865-Bromo-1,4-benzodioxane, AldrichCPR

데이터베이스 식별자

CAS: 58328-39-5
PubChem CID: 18787268
DTXSID: DTXSID30596264
EC Number: 107-158-0、681-013-4
Nikkaji: J3.656.030D

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 140

물리화학적 성질

끓는 점: 260.9 · 260.9±39.0 °C(Predicted)
밀도: 1.598 · 1.598±0.06 g/cm3(Predicted)
굴절률: 1.5955 · 1.5955
저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
InChI: 1S/C8H7BrO2/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3H,4-5H2
InChIKey: NGOZRIZXELGVHK-UHFFFAOYSA-N
SMILES: BrC1=CC=CC2=C1OCCO2

안전 및 규제

GHS 분류

GHS Classification · 6건

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]