브로모아세트알데히드디에틸아세탈

Ethane, 2-bromo-1,1-diethoxy-

HCID 74852CAS 2032-35-1

기본 정보

표준 SMILES
CCOC(CBr)OCC
InChIKey
LILXDMFJXYAKMK-UHFFFAOYSA-N
분자식
C6H13BrO2
평균 분자량
197.07 g/mol
단동위원소 질량
196.00989176

이름 및 식별자

우선 이름
Ethane, 2-bromo-1,1-diethoxy-
IUPAC
2-bromo-1,1-diethoxyethane
현지명
브로모아세트알데히드디에틸아세탈
영어명
Bromoacetaldehyde diethyl acetal
분자식
C6H13BrO2
분자량
197.07

이름 및 동의어

Bromoacetaldehyde diethyl acetal2032-35-12-Bromo-1,1-diethoxyethaneEthane, 2-bromo-1,1-diethoxy-1-Bromo-2,2-diethoxyethane2,2-Diethoxyethyl bromide1,1-Diethoxy-2-bromoethaneBromacetalDiethyl bromoacetal2-Bromoacetaldehyde diethyl acetalDiethyl bromoacetaldehyde acetalAcetaldehyde, bromo-, diethyl acetal
이름 더 보기
브로모아세트알데하이드다이에틸아세탈브로모아세트알데히드디에틸아세탈브로모아세트알데하이드다이에틸아세탈(BROMOACETALDEHYDEDIETHYLACETAL)브로모아세트알데하이드 다이에틸 아세탈BROMOACETALBADEA-Bromodiethylacetal
M4DGX2BMU9NSC 8036NSC-8036EINECS 217-989-1.alpha.-Bromoacetaldehyde diethyl acetalAI3-28195DTXSID2062111RefChem:591656

데이터베이스 식별자

CAS
2032-35-1
PubChem CID
74852
DTXSID
DTXSID2062111
ChEMBL
CHEMBL2251333
UNII
M4DGX2BMU9
EC Number
217-989-1
Nikkaji
J24.192J

물성

구조 계산 물성

XLogP
1.6
극성 표면적
18.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
9

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient
Density1.31 @25 °C

물리화학적 성질

끓는 점
66 · 66-67 °C18 mm Hg(lit.)
밀도
1.31 g/mL · 1.31 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.439(lit.)
인화점
125 °F · 125 °F
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (13.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Ethane, 2-bromo-1,1-diethoxy-

Status: Active Update: 08-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19580

Bromoacetaldehyde diethyl acetal: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (13.2%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
HS 번호
29110000
risk_code
10-36-36/38-23-22
hazard_code
Xi,T

화학 및 산업

용도 및 제조

General Manufacturing InformationEthane, 2-bromo-1,1-diethoxy-: ACTIVE
응용 분야 · 2건

용도Bromoacetaldehyde diethyl acetal, is used as a synthetic building block. It is mainly used for synthesis of antibiotics such as erythromycin and cephalosporins and to other drugs. It also can be used as pharmaceutical intermediates. Besides, this chemical can be used to pruduce drugs such as methylthio imidazole, chlorpheniramine and others for thyroid. It also acts as a Useful intermediate for the preparation of other -heterosubstituted acetaldehyde acetals.

일반 설명May darken in storage

제조 방법 · 1건

To a flask containing 118.0 gm (1.0 mole) of diethyl acetal and 55 gm (0.55 mole) of calcium carbonate is dropwise added 55 ml (1.0 mole) of bromine over a 30-45 min period while keeping the reaction temperature at 5°-10°C. The reaction mixture is allowed to stand 24 hr, steam is introduced to dissolve the salts, the oil separated, dried over potassium carbonate, and distilled to afford 61-83 gm (31-42%), b.p. 167°-170°C. The product is further purified by shaking with potassium carbonate and distilling it under reduced pressure, b.p. 48°-49°C (3 mm Hg). The pure acetal is unstable and becomes colored in a few hours and black after several days. However, the crude acetal boiling at 167°-170°C is stable for several months.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京精维化工有限公司13270709979 · [email protected]

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