1,3-Dibromo-2,2-dimethoxypropane

HCID 2734196CAS 22094-18-4

기본 정보

표준 SMILES: COC(CBr)(CBr)OC
InChIKey: CPAHOXOBYHMHDT-UHFFFAOYSA-N
분자식: C5H10Br2O2
평균 분자량: 261.94 g/mol
단동위원소 질량: 259.90475376

이름 및 식별자

우선 이름: 1,3-Dibromo-2,2-dimethoxypropane
IUPAC: 1,3-dibromo-2,2-dimethoxypropane
영어명: 1,3-Dibromo-2,2-dimethoxypropane
분자식: C5H10Br2O2
분자량: 261.94

이름 및 동의어

1,3-Dibromo-2,2-dimethoxypropane22094-18-4DTXSID40370153RefChem:218381DTXCID80321189681-907-41,3-Dibromoacetone dimethyl acetalMFCD00051792C5H10Br2O21,3-Dibromo-2,2-dimethoxy-propaneAG120 Intermediates2-bromo-1-(bromomethyl)-1,1-dimethoxyethane

이름 더 보기

3-Dibromo-2,2-dimethoxypropaneAKOS BBS-000019221,3-DibroMo-2,2-diMethoxy...1,3-DibroMoacetone DiMethyl Ketal1,3-0DIBROMO-2,2-DIMETHOXYPROPANE1,3-Dibromo-2,2-dimethoxypropane>Propane, 1,3-dibromo-2,2-dimethoxy-1,3-Dibromo-2,2-dimethoxypropane,99%

Propane, 1,3-dibromo-2,2-dimethoxy-1,3-dibromoacetone dimethylacetalSCHEMBL400148orb2939670CPAHOXOBYHMHDT-UHFFFAOYSA-N1,3-dibromo-2,2-dimethyoxypropaneSBB039320TYD-00925

데이터베이스 식별자

CAS: 22094-18-4
PubChem CID: 2734196
DTXSID: DTXSID40370153
EC Number: 681-907-4
Nikkaji: J530.351F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 9
형식 전하: 0
복잡도: 67.4

물리화학적 성질

녹는점: 65 · 65-68 °C
끓는 점: 235 °C · 235°C (rough estimate)
밀도: 1.8049 · 1.8049 (rough estimate)
굴절률: 1.512 · 1.5120 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: 결정성 분말
색상: 하얀색
BRN: 1698992 · 1698992
InChI: InChI=1S/C5H10Br2O2/c1-8-5(3-6,4-7)9-2/h3-4H2,1-2H3
InChIKey: CPAHOXOBYHMHDT-UHFFFAOYSA-N
SMILES: C(Br)C(OC)(OC)CBr

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.