2-Bromo-2',5'-dimethoxyacetophenone

HCID 70997

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1204-21-3
표준 SMILES: COc1ccc(OC)c(C(=O)CBr)c1
InChIKey: RGQNFYVSEWDUEI-UHFFFAOYSA-N
분자식: C10H11BrO3
평균 분자량: 259.1 g/mol
단동위원소 질량: 257.98915631

이름 및 식별자

우선 이름: 2-Bromo-2',5'-dimethoxyacetophenone
IUPAC: 2-bromo-1-(2,5-dimethoxyphenyl)ethanone
영어명: 2-BROMO-2',5'-DIMETHOXYACETOPHENONE
분자식: C10H11BrO3
분자량: 259.1

이름 및 동의어

1204-21-32-Bromo-2',5'-dimethoxyacetophenone2-Bromo-1-(2,5-dimethoxyphenyl)ethanoneEthanone, 2-bromo-1-(2,5-dimethoxyphenyl)-2,5-Dimethoxyphenacyl bromidealpha-Bromo-2',5'-dimethoxyacetophenoneUNII-XV6ER0C1DTXV6ER0C1DTEINECS 214-873-2DTXSID9022152RGQNFYVSEWDUEI-UHFFFAOYSA-.alpha.-Bromo-2',5'-dimethoxy acetophenone

이름 더 보기

AKOS BBS-00003866ω-Bromo-2',5'-dimethoxyacetophenoneα-Bromo-2',5'-dimethoxyacetophenoneA-BROMO-2',5'-DIMETHOXYACETOPHENONE1,4-Dimethoxy-2-(bromoacetyl)benzenebromomethyl 2,5-dimethoxyphenyl ketone2-Bromo-2',5'-dimethoxyacetophenone,97%

.ALPHA.-BROMO-2,5-DIMETHOXYACETOPHENONE.OMEGA.-BROMO-2,5-DIMETHOXYACETOPHENONEACETOPHENONE, 2-BROMO-2',5'-DIMETHOXY-RefChem:85633DTXCID702152alpha-bromo-2,5-dimethoxyacetophenonealpha-Bromo-2',5'-dimethoxy acetophenoneOMEGA-BROMO-2,5-DIMETHOXYACETOPHENONE

데이터베이스 식별자

CAS: 1204-21-3
PubChem CID: 70997
DTXSID: DTXSID9022152
UNII: XV6ER0C1DT
EC Number: 214-873-2
Nikkaji: J149.815K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 35.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 196

물리화학적 성질

녹는점: 83 · 83-85 °C(lit.)
끓는 점: 323.1 · 323.1±27.0 °C(Predicted)
밀도: 1.5471 · 1.5471 (rough estimate)
굴절률: 1.462 · 1.4620 (estimate)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
InChI: 1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3
InChIKey: RGQNFYVSEWDUEI-UHFFFAOYSA-N
SMILES: COc1ccc(OC)c(c1)C(=O)CBr
EPA: 2 · 2-Bromo-2',5'-dimethoxyacetophenone (1204-21-3)

화학적 성질

BEIGE FINE CRYST. POWDER OR FINE CRYST. NEEDLES

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.