Diethyl bromomalonate (HCID 69637)

이름 및 식별자

우선 이름: Diethyl bromomalonate
IUPAC: diethyl 2-bromopropanedioate
현지명: 브로모말론산디에틸에스테르
영어명: Diethyl bromomalonate
분자식: C7H11BrO4
분자량: 239.06

이름 및 동의어

Diethyl bromomalonate685-87-0Diethyl 2-bromomalonateBromomalonic acid diethyl esterEthyl bromomalonatediethyl 2-bromopropanedioate1,3-diethyl 2-bromopropanedioatePropanedioic acid, bromo-, diethyl esterPropanedioic acid, 2-bromo-, 1,3-diethyl esterdiethyl bromopropanedioateMalonic acid, bromo-, diethyl esterMFCD00009138

이름 더 보기

다이에틸브로모말로네이트알파브로모말론에스테르디에틸브로모말론산염브로모말론산디에틸에스테르다이에틸 브로모말로네이트DiethylbrommalonatRARECHEM AL BI 0815Diethyl bromalonateDiethylebromomalonateBROMO DIETHYL MALONATE

.alpha.-Bromomalonic esterDiethyl .alpha.-bromomalonateUN4643QTM3NSC-1985BR12752-bromo-propanedioic acid diethyl esterDiethylbromomalonateDiethyl2-bromomalonate

데이터베이스 식별자

CAS: 685-87-0
PubChem CID: 69637
DTXSID: DTXSID9060992
UNII: UN4643QTM3
EC Number: 211-683-1
Nikkaji: J134.655E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 52.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 6
무거운 원자 수: 12
형식 전하: 0
복잡도: 151

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Esters

SpringerMaterials PropertiesRefractive index

Physical DescriptionClear light brown liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -54 °C · -54°C
끓는 점: 233 · 233-235 °C (lit.)
밀도: 1.402 g/mL · 1.402 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.451(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름, 헥산에 용해됨
물리적 상태: 액체
산도 계수 (pKa): 9.29 · 9.29±0.46(Predicted)
Specific Gravity: 1.402 · 1.402
색상: 무색투명~미황색
수용성: 물과 잘 섞이지 않습니다.
BRN: 509768 · 509768
InChI: 1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
InChIKey: FNJVDWXUKLTFFL-UHFFFAOYSA-N
SMILES: CCOC(=O)C(Br)C(=O)OCC
EPA: 2 · Propanedioic acid, 2-bromo-, 1,3-diethyl ester (685-87-0)

화학적 성질

CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID

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 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory InformationDiethyl bromomalonate: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns and lachrymation; Inhalation may cause corrosive injuries to upper respiratory tract; [Sigma-Aldrich MSDS]

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

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29171900
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 19
위험 참고 사항: Corrosive/Lachrymator
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanedioic acid, 2-bromo-, 1,3-diethyl ester: ACTIVE

응용 분야

용도Diethyl Bromomalonate is a chemical constituent of the asymmetric cyclopropanation of chalcones. Also used in the preparation of nanaplatforms for NIR imaging-guided photodynamic therapy of cancer cel ls.

상·하류 제품 정보

상류 원료

사염화탄소 테트라하이드로푸란 초산에틸 브롬 말론산 디에틸 석유 에테르 탄산나트륨(경회)

하류 제품

5-Methoxybenzofuran-2-boronic acid 벤조푸란-2-카르복실산 3-메틸벤조푸란-2-카르복실산 2-에톡시카르보닐-3-쿠마라논 1-Oxo-1H-isochromene-3-carboxylic Acid 알릴말론산디에틸에스테르 Ethyl 5-nitrobenzofuran-2-carboxylate Diethyl chloromalonate 5-니트로벤조푸란-2-카복실산 에틸(5-브로모벤조푸란)-2-카르복실레이트 Ethyl 4-hydroxy-2-(pyridin-3-yl)thiazole-5-carboxylate Ethyl 4-hydroxy-2-(4-methylphenyl)-1,3-thiazole-5-carboxylate

공급사50 곳

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温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

연결된 노트

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브로모말론산디에틸에스테르

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