4-브로모벤잘데하이드DIMETHYLACETAL

1-Bromo-4-(dimethoxymethyl)benzene

HCID 688342CAS 24856-58-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(OC)c1ccc(Br)cc1
InChIKey: TWFNGPDYMFEHOB-UHFFFAOYSA-N
분자식: C9H11BrO2
평균 분자량: 231.09 g/mol
단동위원소 질량: 229.99424169

이름 및 식별자

우선 이름: 1-Bromo-4-(dimethoxymethyl)benzene
IUPAC: 1-bromo-4-(dimethoxymethyl)benzene
현지명: 4-브로모벤잘데하이드DIMETHYLACETAL
영어명: 4-BROMOBENZALDEHYDE DIMETHYL ACETAL
분자식: C9H11BrO2
분자량: 231.09

이름 및 동의어

4-Bromobenzaldehyde dimethyl acetal1-bromo-4-(dimethoxymethyl)benzene24856-58-4DTXSID70350882RefChem:430594DTXCID60301949629-494-1918-110-0MFCD01320499Benzene, 1-bromo-4-(dimethoxymethyl)-SCHEMBL65024-bromobenzaldehyde dimethyl ketal

이름 더 보기

4-브로모벤잘데하이드DIMETHYLACETAL(4-Bromophenyl)dimethoxymethane1-(Dimethoxymethyl)-4-bromobenzene4 Bromobenzaldehyde dimethyl actalP-BROMO BENZALDEHYDE DIMETHYLACETALBenzene,1-bromo-4-(dimethoxymethyl)-1,1-dimethoxy-1-(4-bromophenyl)methane4-BroMobenzaldehyde diMethyl acetal 98%

4-bromo-benzaldehyde dimethyl ketal4-Bromobenzaldehyde dimethyl acetal, 98%B58194-bromo-benzaldehyde dimethyl acetal4-bromo-benzaldehyde di1-bromo-4-dimethoxymethyl benzene1-bromo-4-dimethoxymethyl-benzeneTWFNGPDYMFEHOB-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 24856-58-4
PubChem CID: 688342
DTXSID: DTXSID70350882
EC Number: 629-494-1、918-110-0
Nikkaji: J314.386D

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 18.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 118

물리화학적 성질

끓는 점: 254 °C · 254 °C(lit.)
밀도: 1.383 g/mL · 1.383 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.532(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 액체
색상: 무색~연황색
수용성: 물에 불용성.
InChI: 1S/C9H11BrO2/c1-11-9(12-2)7-3-5-8(10)6-4-7/h3-6,9H,1-2H3
InChIKey: TWFNGPDYMFEHOB-UHFFFAOYSA-N
SMILES: COC(OC)c1ccc(Br)cc1

안전 및 규제

GHS 분류

GHS Classification · 6건

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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory InformationStatus: Active Update: 20-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21851

Hazard Classes and Categories · 2건

Skin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2913000090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도4-Bromobenzaldehyde dimethyl acetal, is used to produce other chemicals, it is used to produce 1-Bromo-4-bromomethyl-benzene at ambient temperature.

일반 설명4-Bromobenzaldehyde diethyl acetal is an acetal derivative of 4-bromobenzaldehyde. Its enthalpy of vaporization at boiling point (527.15K) is 46.499kjoule/mol. 4-Bromobenzaldehyde diethyl acetal can be synthesized by reacting 4-bromobenzaldehyde with methanol in the presence of triethylamine and titanium chloride.