2-브로모메틸-1,4-벤조디옥산

2-Bromomethyl-1,4-benzodioxane

HCID 98333CAS 2164-34-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: BrCC1COc2ccccc2O1
InChIKey: QYLFKNVZIFTCIY-UHFFFAOYSA-N
분자식: C9H9BrO2
평균 분자량: 229.07 g/mol
단동위원소 질량: 227.97859163

이름 및 식별자

우선 이름: 2-Bromomethyl-1,4-benzodioxane
IUPAC: 3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
현지명: 2-브로모메틸-1,4-벤조디옥산
영어명: 2-Bromomethyl-1,4-benzodioxane
분자식: C9H9BrO2
분자량: 229.07

이름 및 동의어

2164-34-32-Bromomethyl-1,4-benzodioxane2-(bromomethyl)-2,3-dihydro-1,4-benzodioxine2-(Bromomethyl)-1,4-benzodioxane2-(Bromomethyl)-2,3-dihydro-1,4-benzodioxinT2VR2E695H1,4-Benzodioxin, 2-(bromomethyl)-2,3-dihydro-NSC-106871QYLFKNVZIFTCIY-UHFFFAOYSA-DTXSID901301573EINECS 218-503-0NSC 106871

이름 더 보기

2-브로모메틸-1,4-벤조디옥산AKOS 90TIMTEC-BB SBB0032902-BROMOMETHYL-1,4-BENZODIOXAN2-Bromomethyl-1,4-benzodioxane >2-Bromomethyl-1,4-benzodioxane,97%2-BroMoMethyl-1,4-benzodioxane, 97% 5GR2-(broMoMethyl)-3,4-dihydro-2H-chroMene2-Bromomethyl-2,3-dihydro-benzo[1,4]dioxine

RefChem:467277DTXCID501731663218-503-0InChI=1/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H22-(Bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine2-Bromomethyl-2,3-dihydrobenzo[1,4]dioxine3-(bromomethyl)-2,3-dihydro-1,4-benzodioxineMFCD00044831

데이터베이스 식별자

CAS: 2164-34-3
PubChem CID: 98333
DTXSID: DTXSID901301573
UNII: T2VR2E695H
EC Number: 218-503-0
Nikkaji: J299.133K

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

물리화학적 성질

끓는 점: 250 · 250-251 °C(lit.)
밀도: 1.533 g/mL · 1.533 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.5720(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
물리적 상태: 투명한 액체
색상: Colorless to Light yellow to Light orange
BRN: 150154 · 150154
InChI: InChI=1S/C9H9BrO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6H2
InChIKey: QYLFKNVZIFTCIY-UHFFFAOYSA-N
SMILES: O1C2=CC=CC=C2OCC1CBr

화학적 성질

Clear colorless to greyish or light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (17%): 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 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.