1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one

HCID 243777CAS 40288-65-1

기본 정보

표준 SMILES: O=C(CBr)c1ccc2c(c1)OCO2
InChIKey: QBXCVQVFPVXAGS-UHFFFAOYSA-N
분자식: C9H7BrO3
평균 분자량: 243.05 g/mol
단동위원소 질량: 241.95785618

이름 및 식별자

우선 이름: 1-(1,3-Dioxaindan-5-yl)-2-bromoethan-1-one
IUPAC: 1-(1,3-benzodioxol-5-yl)-2-bromoethanone
영어명: 1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one
분자식: C9H7BrO3
분자량: 243.05

이름 및 동의어

1-(1,3-dioxaindan-5-yl)-2-bromoethan-1-oneRefChem:419371842-812-540288-65-11-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one1-(1,3-benzodioxol-5-yl)-2-bromoethanone1-(2H-1,3-benzodioxol-5-yl)-2-bromoethan-1-oneMFCD019100771-(benzo[d][1,3]dioxol-5-yl)-2-bromoethanoneNSC 539415-(Bromoacetyl)-1,3-benzodioxolane1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-bromoethan-1-one

이름 더 보기

AKOS BBS-00000958BUTTPARK 98\04-011-(1,3-BENZODIOXOL-5-YL)-2-BROMO-1-ETHANONE

2-bromo-1-(3,4-methylenedioxyphenyl)ethanone2-bromo-1-(3,4-methylenedioxyphenyl]ethanone5-(Bromoacetyl)-1,3-benzodioxoleEthanone,1-(1,3-benzodioxol-5-yl)-2-bromo-Ethanone, 1-(1,3-benzodioxol-5-yl)-2-bromo-NSC539411-benzo[1,3]dioxol-5-yl-2-bromo-ethanoneSCHEMBL175424

데이터베이스 식별자

CAS: 40288-65-1
PubChem CID: 243777
DTXSID: DTXSID30288051
EC Number: 842-812-5
Nikkaji: J474.481K

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 91 · 91-93°C
끓는 점: 343.5 · 343.5±42.0 °C(Predicted)
밀도: 1.672 · 1.672±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 고체
색상: 갈색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.