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브로모아세트알데히드디에틸아세탈

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

HCID 74852
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2032-35-1
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
형식 전하
0
복잡도
53

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)
물리적 상태
기름
색상
투명 무색
Specific Gravity
1.31 · 1.310
수용성
섞일 수 없음
BRN
635754 · 635754
InChI
1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
InChIKey
LILXDMFJXYAKMK-UHFFFAOYSA-N
SMILES
CCOC(CBr)OCC
NIST
2 · Ethane, 2-bromo-1,1-diethoxy-(2032-35-1)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

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
safety_code

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.

상·하류 제품 정보

상류 원료

브롬초산비닐모노머

하류 제품

티아나프텐7-Bromo-3-trifluoromethyl-imidazo[1,2-b][1,2,4]triazine

관련 반응

605건
반응 기록 만들기
HRID 2460 반응식
HRID 2460반응물로uspto-grants-1998_03
HRID 6435 반응식
HRID 6435반응물로uspto-grants-1993_09
HRID 17923 반응식
HRID 17923반응물로uspto-grants-2010_06
HRID 21889 반응식
HRID 21889반응물로uspto-grants-1995_06
HRID 22020 반응식
HRID 22020반응물로uspto-grants-1995_06
HRID 25040 반응식
HRID 25040반응물로uspto-grants-2005_02
HRID 25063 반응식
HRID 25063반응물로uspto-grants-2005_02
HRID 35276 반응식
HRID 35276반응물로uspto-grants-1988_08
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EPA
2 · Ethane, 2-bromo-1,1-diethoxy- (2032-35-1)

화학적 성질

Colorless to light yellow liqui

16-26-45-38-37/39-28A-36/37
포장분류
III
위험 등급
6.1
기존화학 물질
KE-03650
F 고인화성물질
8-9-21
위험 참고 사항
Toxic/Irritant
Hazard Classifications
Acute Tox. 2 InhalationAcute Tox. 3 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
5-메틸-1-벤조티오펜-2-카르발데히드
1-벤조푸란-5-카르보니트릴
Benzofuran-5-boronic acid
5-메톡시벤조푸란
5-Bromo-4-chloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine ,97%
1-벤조푸란-5-카브알데히드
Benzo[b]thiophen-5-yl-5-boronic acid
Pyrrolo[2,3-d]pyrimidin-4-ol
3-(P-클로로페닐)-3-(2-피리딜)프로필알데하이드디에틸아세탈
7-(Trifluoromethyl)-3-iodoimidazo[1,2-a]pyrimidine
3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
말레인산클로로페니라민
6-Bromoimidazo[1,2-a]pyridine
3,3-Diphenyltetrahydrofuran-2-ylidene(dimethyl)ammonium bromide
6-브로모-벤조[B]티오펜
6,8-디브로모이미다조[1,2-A]피라진
5-메틸린돌
5-브로모-1-벤조푸란
1,1'-옥시비스[2,2-디에톡시에탄]
(2,2-디에톡시에틸)메틸아민