5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine

HCID 818851CAS 19752-61-5

기본 정보

표준 SMILES: CC(C)(C)Oc1ncc(Br)c(OC(C)(C)C)n1
InChIKey: MAWUVEDTRZARNC-UHFFFAOYSA-N
분자식: C12H19BrN2O2
평균 분자량: 303.2 g/mol
단동위원소 질량: 302.06298995

이름 및 식별자

우선 이름: 5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine
IUPAC: 5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
영어명: 2,4-Di-(tert-butoxy)-5-bromopyrimidine
분자식: C12H19BrN2O2
분자량: 303.2

이름 및 동의어

19752-61-55-bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine5-Bromo-2,4-bis[1,1-dimethylethoxy]pyrimidineRefChem:10727025-bromo-2,4-di-tert-butoxypyrimidine5-Bromo-2,4-di(tert-butoxy)pyrimidine5-bromo-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine5-Bromo-2,4-di-(tert-butoxy)pyrimidine2,4-DI-(TERT-BUTOXY)-5-BROMOPYRIMIDINEMFCD01927527C12H19BrN2O2Pyrimidine, 5-bromo-2,4-bis(1,1-dimethylethoxy)-

이름 더 보기

IFLAB-BB F1371-01512,4-DI-T-BUTOXY-5-BROMO-PYRIMIDINEOxirane, 2-[14-(phenylMethoxy)ethyl]-5-Bromo-2,4-di-(tert-butoxy)pyrimidine 95%Benzaldehyde,4-(4,6-dichloro-1,3,5-triazin-4-yl)-

5-bromo-2,4-bis(tert-butoxy)pyrimidineMLS000066854SCHEMBL896479CHEMBL1472479SCHEMBL30288939DTXSID20355988MAWUVEDTRZARNC-UHFFFAOYSA-NHMS1590L09

데이터베이스 식별자

CAS: 19752-61-5
PubChem CID: 818851
DTXSID: DTXSID20355988
ChEMBL: CHEMBL1472479
EC Number: 681-506-4
Nikkaji: J1.134.360K

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 44.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 58 · 58-61°C
끓는 점: 352 · 352.0±45.0 °C(Predicted)
밀도: 1.267 · 1.267±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: DCM, 에틸아세테이트, 메탄올에 용해됨
산도 계수 (pKa): 1.73 · 1.73±0.29(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: InChI=1S/C12H19BrN2O2/c1-11(2,3)16-9-8(13)7-14-10(15-9)17-12(4,5)6/h7H,1-6H3
InChIKey: MAWUVEDTRZARNC-UHFFFAOYSA-N
SMILES: C1(OC(C)(C)C)=NC=C(Br)C(OC(C)(C)C)=N1

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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

안전 데이터

HS 번호: 2933998090

화학 및 산업

응용 분야

용도5-Bromo-2,4-bis(1,1-dimethylethoxy)pyrimidine is an intermediate in the synthesis of β-Pseudouridine (O839607), an isomer of the nucleoside uridine found in all species and in many classes of RNA except mRNA.