4-브로모벤잘데하이드디에틸아세탈

1-Bromo-4-(diethoxymethyl)benzene

HCID 688340

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 34421-94-8
표준 SMILES: CCOC(OCC)c1ccc(Br)cc1
InChIKey: BFSNEBVTOODGHZ-UHFFFAOYSA-N
분자식: C11H15BrO2
평균 분자량: 259.14 g/mol
단동위원소 질량: 258.02554182

이름 및 식별자

우선 이름: 1-Bromo-4-(diethoxymethyl)benzene
IUPAC: 1-bromo-4-(diethoxymethyl)benzene
현지명: 4-브로모벤잘데하이드디에틸아세탈
영어명: 4-Bromobenzaldehyde diethyl acetal
분자식: C11H15BrO2
분자량: 259.14

이름 및 동의어

1-Bromo-4-(diethoxymethyl)benzeneRefChem:430585678-205-534421-94-84-Bromobenzaldehyde diethyl acetal4-BromobenzaldehydeDiethylAcetalMFCD018635144-bromobenzaldehyde diethylacetal4-bromobenzaldehydediethyl acetalAKOS005207008CS-W0101564-Bromobenzaldehyde diethyl acetal, 99%

이름 더 보기

4-브로모벤잘데하이드디에틸아세탈4-Bromo-,-Diethoxytoluene4-bromobenzaldehyde acetal4-bromo-à,à-diethoxytoluene4-bromobenzaldehyde dithyl acetal4-Bromo-alpha,alpha-diethoxytoluene4-Bromobenzaldehydediethylacetal,98%4-Bromobenzaldehyde Diethyl Acetal >

CS-17336D77705Benzene, 1-bromo-4-(diethoxymethyl)-1-Bromo-4-diethoxymethyl-benzeneAMY7729SCHEMBL508188DTXSID503508801-bromo-4-(diethoxymethyl) benzene

데이터베이스 식별자

CAS: 34421-94-8
PubChem CID: 688340
DTXSID: DTXSID50350880
EC Number: 678-205-5
Nikkaji: J2.056.738D

물성

구조 계산 물성

XLogP: 3
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 14
형식 전하: 0
복잡도: 138

물리화학적 성질

끓는 점: 75 °C0.2 · 75 °C0.2 mm Hg(lit.)
밀도: 1.274 g/mL · 1.274 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.513(lit.)
인화점: 221 °F · 221 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 액체
색상: 무색~담황색 투명
BRN: 2448775 · 2448775
InChI: 1S/C11H15BrO2/c1-3-13-11(14-4-2)9-5-7-10(12)8-6-9/h5-8,11H,3-4H2,1-2H3
InChIKey: BFSNEBVTOODGHZ-UHFFFAOYSA-N
SMILES: CCOC(OCC)c1ccc(Br)cc1

화학적 성질

Clear colorless to pale yellowish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

wgk: 3
HS 번호: 29110000
risk_code: 22-36/37/38
hazard_code: Xn
safety_code: 24/25-37/39-26
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-Bromobenzaldehyde diethyl acetal is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.

일반 설명4-Bromobenzaldehyde diethyl acetal is also known as p-bromobenzaldehyde dimethyl acetal. It is employed during chemical decomposition of pladienolide D to benzylidene acetal.