디에틸디브로모말로네이트

Propanedioic acid, 2,2-dibromo-, 1,3-diethyl ester

HCID 69427CAS 631-22-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)C(Br)(Br)C(=O)OCC
InChIKey: PFZYFZRUPFUEOB-UHFFFAOYSA-N
분자식: C7H10Br2O4
평균 분자량: 317.96 g/mol
단동위원소 질량: 315.894583

이름 및 식별자

우선 이름: Propanedioic acid, 2,2-dibromo-, 1,3-diethyl ester
IUPAC: diethyl 2,2-dibromopropanedioate
현지명: 디에틸디브로모말로네이트
영어명: Diethyl dibromomalonate
분자식: C7H10Br2O4
분자량: 317.96

이름 및 동의어

Diethyl dibromomalonateEthyl dibromomalonate1,3-diethyl 2,2-dibromopropanedioateMalonic acid, dibromo-, diethyl esterAI3-01374NSC 6759EINECS 211-151-9Propanedioic acid, 2,2-dibromo-, 1,3-diethyl esterRefChem:868938211-151-9631-22-1Diethyl 2,2-dibromomalonate

이름 더 보기

디에틸디브로모말로네이트Diethyldibromomalonate,98%Diethyl dibromomalonate 97%iethyl2,2-dibromopropanedioatedibromo-propanedioicacidiethylesterDibromo malonic acid, diethyl ester

diethyl 2,2-dibromopropanedioatePropanedioic acid, dibromo-, diethyl esterDIETHYLDIBROMOMALONATEMFCD00015154C7H10Br2O432T45AS5LZNSC-6759Diethyl dibromopropanedioate

데이터베이스 식별자

CAS: 631-22-1
PubChem CID: 69427
DTXSID: DTXSID6060890
UNII: 32T45AS5LZ
EC Number: 211-151-9
Nikkaji: J79.773A

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 13
형식 전하: 0
복잡도: 183

물리화학적 성질

끓는 점: 140 · 140-143 °C/18 mmHg (lit.)
밀도: 1.68 g/mL · 1.68 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.484(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 4 · sol benzene, CCl4, DMSO, THF
물리적 상태: 액체
색상: 투명하고 연한 노란색
BRN: 1783879 · 1783879
InChI: InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3
InChIKey: PFZYFZRUPFUEOB-UHFFFAOYSA-N
SMILES: C(OCC)(=O)C(Br)(Br)C(OCC)=O
EPA: Propanedioic acid, dibromo-, diethyl ester (631-22-1)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 1760
HS 번호: 29171900
risk_code: 34
safety_code: 20-26-36/37/39-45-60
포장분류: III
위험 등급: 8
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanedioic acid, 2,2-dibromo-, 1,3-diethyl ester: INACTIVE

응용 분야

용도Diethyl dibromomalonate is used for selective bromination of polyunsaturated ester enolates; converts alkenes into cyclopropanes in the presence of suitable heavy metal reagents.

일반 설명Diethyl dibromomalonate reacts with sodium methoxide in cyclohexene to afford dibromonorcarane. It also reacts with allyl(pyridine)cobaloximes to afford the corresponding allyl-substituted esters.