6-브로모-1,4-벤조디옥산

6-Bromo-1,4-benzodioxane

HCID 104141

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52287-51-1
표준 SMILES: Brc1ccc2c(c1)OCCO2
InChIKey: LFCURAJBHDNUNG-UHFFFAOYSA-N
분자식: C8H7BrO2
평균 분자량: 215.04 g/mol
단동위원소 질량: 213.96294156

이름 및 식별자

우선 이름: 6-Bromo-1,4-benzodioxane
IUPAC: 6-bromo-2,3-dihydro-1,4-benzodioxine
현지명: 6-브로모-1,4-벤조디옥산
영어명: 6-Bromo-1,4-benzodioxane
분자식: C8H7BrO2
분자량: 215.04

이름 및 동의어

6-Bromo-1,4-benzodioxane52287-51-13,4-Ethylenedioxybromobenzene1,4-Benzodioxin, 6-bromo-2,3-dihydro-6-Bromo-2,3-dihydro-1,4-benzodioxin4-Bromo-1,2-ethylenedioxybenzeneYF4FUZ2TQAEINECS 257-817-2DTXSID90200310RefChem:540535DTXCID90122801257-817-2

이름 더 보기

6-브로모-1,4-벤조디옥산6-Bromo-2,3-dihydro-benzo[1,4]dioxineBUTTPARK 95\50-63TIMTEC-BB SBB0033996-Bromobenzodioxane6-Bromo-1,4-benzodioxan6-Bromo-1,4-benzodiaxane3,4-ETHYLENDIOXYBROMOBENZENE

6-bromo-2,3-dihydrobenzo[b][1,4]dioxine6-bromo-2,3-dihydro-1,4-benzodioxineMFCD000407501-bromo-3,4-(ethylenedioxy)benzeneHY-W002191Z56944508Ethylendioxybromobenzene6-bromo-2,3-dihydrobenzo[1,4]dioxine

데이터베이스 식별자

CAS: 52287-51-1
PubChem CID: 104141
DTXSID: DTXSID90200310
UNII: YF4FUZ2TQA
EC Number: 257-817-2
Nikkaji: J267.338J

물성

구조 계산 물성

XLogP: 2.2
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: 259 · 259-260 °C(lit.)
밀도: 1.598 g/mL · 1.598 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.588(lit.)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.598 · 1.598
색상: 무색~담황색
BRN: 6223 · 6223
InChI: InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2
InChIKey: LFCURAJBHDNUNG-UHFFFAOYSA-N
SMILES: O1C2=CC=C(Br)C=C2OCC1

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)

안전 데이터

wgk: 3
HS 번호: 29329990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도6-Bromo-1,4-benzodioxane may be used as a starting reagent in the synthesis of chiral diphosphines (SYNPHOS and DIFLUORPHOS).

일반 설명6-Bromo-1,4-benzodioxane is an aryl halide. It can be synthesized from 1,4-benzodioxane, via bromination with bromine in acetic acid. It undergoes alkoxycarbonylation reaction with sodium tert-butoxide in the presence of CO to yield 2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid t-butyl ester.