기본 정보
- CAS
29263-94-3- 표준 SMILES
CCOC(=O)C(C)(Br)C(=O)OCC- InChIKey
CSLQAXTUGPUBCW-UHFFFAOYSA-N- 분자식
- C8H13BrO4
- 평균 분자량
- 253.09 g/mol
- 단동위원소 질량
- 251.999721
이름 및 식별자
- 우선 이름
- Diethyl bromomethylmalonate
- IUPAC
- diethyl 2-bromo-2-methylpropanedioate
- 영어명
- Diethyl 2-bromo-2-methylmalonate
- 분자식
- C8H13BrO4
- 분자량
- 253.09
이름 및 동의어
Diethyl bromomethylmalonateEINECS 249-541-6DTXSID90183518NSC 10117RefChem:587197DTXCID30106009249-541-6Diethyl 2-bromo-2-methylmalonate29263-94-3diethyl 2-bromo-2-methylpropanedioate1,3-diethyl 2-bromo-2-methylpropanedioateDiethyl2-bromo-2-methylmalonate
이름 더 보기
Diethyl 2-bromoDiethyl-2-Bro-2-MethylmalonateDiethyl 2-bromo-2-methylmaloteDiethyl a-bromo-a-methylmalonateDiethyl2-Bromo-2-methylmalonate>iethyl2-bromo-2-methylpropanedioateDiethyl 2-broMo-2-MethylMalonate 98%
2-bromo-2-methylmalonic acid diethyl esterMFCD00009125Propanedioic acid, 2-bromo-2-methyl-, 1,3-diethyl esterDiethyl methylbromomalonatediethyl-2-bromo-2-methyl malonateNSC-101172-bromo-2-methylpropanedioic acid diethyl esterA819852
데이터베이스 식별자
- CAS
29263-94-3- PubChem CID
- 94944
- DTXSID
DTXSID90183518- UNII
- 67S27Y2PKN
- EC Number
- 249-541-6
- Nikkaji
- J591.349G
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 184
실험 및 물리화학적 성질
SpringerMaterials PropertiesSurface tension
물리화학적 성질
- 끓는 점
- 105 · 105-106 °C (5 mmHg)
- 밀도
- 1.325 g/mL · 1.325 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.449(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- BRN
- 1779673 · 1779673
- InChI
- 1S/C8H13BrO4/c1-4-12-6(10)8(3,9)7(11)13-5-2/h4-5H2,1-3H3
- InChIKey
- CSLQAXTUGPUBCW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C(C)(Br)C(=O)OCC
화학적 성질
CLEAR COLOURLESS LIQUID
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Corr. 1B (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- HS 번호
- 2917.19.7050
- risk_code
- 34-20/21/22
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- 포장분류
- III
- 위험 등급
- 8
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도Diethyl 2-bromo-2-methylmalonate was used to investigate the 1,2,2,6,6-pentamethylpiperidine as an effective reducing agent for the radical chain conversion of primary bromoesters to the corresponding esters. It was used in the synthesis of polystyrene macroinitiator via atom transfer radical polymerization.
일반 설명Diethyl 2-bromo-2-methylmalonate acts as initiator during the atom transfer radical polymerization of methyl methacrylate.
상·하류 제품 정보
하류 제품
공급사93 곳
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