브로모아세트알데히드디메틸아세탈
2-Bromo-1,1-dimethoxyethane
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기본 정보
- CAS
7252-83-7- 표준 SMILES
COC(CBr)OC- InChIKey
FUSFWUFSEJXMRQ-UHFFFAOYSA-N- 분자식
- C4H9BrO2
- 평균 분자량
- 169.02 g/mol
- 단동위원소 질량
- 167.97859
이름 및 식별자
- 우선 이름
- 2-Bromo-1,1-dimethoxyethane
- IUPAC
- 2-bromo-1,1-dimethoxyethane
- 현지명
- 브로모아세트알데히드디메틸아세탈
- 영어명
- Bromoacetaldehyde dimethyl acetal
- 분자식
- C4H9BrO2
- 분자량
- 169.02
이름 및 동의어
2-Bromo-1,1-dimethoxyethaneEthane, 2-bromo-1,1-dimethoxy-EINECS 230-669-6NSC 73700DTXSID2064608FUSFWUFSEJXMRQ-UHFFFAOYSA-RefChem:85606DTXCID1047318230-669-6FUSFWUFSEJXMRQ-UHFFFAOYSA-NInChI=1/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H37252-83-7
이름 더 보기
브로모아세트알데히드디메틸아세탈브로모아세트알데하이드 다이메틸 아세탈BADABADMA2-Brom-1,1-dimethoxyethan2-BROMO-1,1-DIMETHYLETHANE1,1-Dimethoxy-2-bromoethane
Bromoacetaldehyde dimethyl acetal1-Bromo-2,2-dimethoxyethane2,2-Dimethoxyethyl bromideDimethylbromoacetal2,2-Dimethoxybromoethane2-Bromoacetaldehyde dimethyl acetalMFCD00000213Acetaldehyde, bromo-, dimethyl acetal
데이터베이스 식별자
- CAS
7252-83-7- PubChem CID
- 81672
- DTXSID
DTXSID2064608- UNII
- 7BKM28RJ5D
- EC Number
- 230-669-6
- Nikkaji
- J134.884A
물성
구조 계산 물성보충 중
- XLogP
- 0.9
- 극성 표면적
- 18.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 36
물리화학적 성질
- 끓는 점
- 148 · 148-150 °C (lit.)
- 밀도
- 1.43 g/mL · 1.43 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.445(lit.)
- 인화점
- 129 °F · 129 °F
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light orange to Yellow
- Specific Gravity
- 1.445 · 1.445
- 수용성
- 불용성
- BRN
- 1280132 · 1280132
- InChI
- InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
- InChIKey
- FUSFWUFSEJXMRQ-UHFFFAOYSA-N
- SMILES
- C(OC)(OC)CBr
- NIST
- 2 · Ethane, 2-bromo-1,1-dimethoxy-(7252-83-7)
- EPA
- 2 · Ethane, 2-bromo-1,1-dimethoxy- (7252-83-7)
화학적 성질
clear colourless to light yellow liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (47.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (44.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 78 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationChemical: Ethane, 2-bromo-1,1-dimethoxy-
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (47.4%)；Eye Irrit. 2 (97.4%)；STOT SE 3 (44.9%)
규제 정보
Regulatory InformationChemical: Ethane, 2-bromo-1,1-dimethoxy-
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1989 3/PG 3
화학 및 산업
용도 및 제조
General Manufacturing InformationEthane, 2-bromo-1,1-dimethoxy-: ACTIVE
응용 분야
용도2-Bromo-1,1-dimethoxyethane (Bromoacetaldehyde dimethyl acetal) was used in the synthesis of 2,3-O-acetal via reaction with 2,3-diol in the presence of 10-camphorsulphonic acid (CSA). 2-bromo-1,1-dimethoxyethane was used to react with 4-hydroxylbenzaldehyde, and finally aldehyde substituted prodrug was generated by TFA-mediated deacetalization.
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