CAS 1489-69-6 Cyclopropanecarboxaldehyde (HCID 123114)

이름 및 식별자

우선 이름: Cyclopropanecarboxaldehyde
IUPAC: cyclopropanecarbaldehyde
영어명: Cyclopropanecarboxaldehyde
분자식: C4H6O
분자량: 70.09

이름 및 동의어

Cyclopropanecarboxaldehyde1489-69-6DTXSID0051736DTXCID0030291RefChem:129931620-777-5JMYVMOUINOAAPA-UHFFFAOYSA-NCyclopropanecarbaldehydeMFCD00012261cyclopropane carboxaldehyde1-(Formyl)cyclopropaneFORMYLCYCLOPROPANE

이름 더 보기

Cyclopropylcarboxaldehyde1-CyclopropanecarbaldehydeCyclopropane-1-carbaldehydeCyclopropanecarboxyaldehydeopropanecarbaLRARECHEM AK ML 0578Cyclopropanecarboxal

CYCLOPROPYLMETHANALcyclopropanal1-(Formyl)cyclopropane; 2-Cyclopropanecarboxaldehyde; Cyclopropylcarboxaldehyde; Formylcyclopropanecyclopropane aldehydecyclopropancarbaldehydcyclopropancarbaldehydecyclopropancarboxaldehydecyclopropanecarboaldehyde

데이터베이스 식별자

CAS: 1489-69-6
PubChem CID: 123114
DTXSID: DTXSID0051736
ChEBI: CHEBI:143341
UNII: PFU79PGC3Y
EC Number: 620-777-5
Nikkaji: J80.129A

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 45

실험 및 물리화학적 성질

Physical DescriptionLiquid

Kovats Retention Index617

물리화학적 성질

끓는 점: 98 · 98-101 °C (lit.)
밀도: 0.938 g/mL · 0.938 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4298(lit.)
인화점: 45 °F · 45 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름에 용해됨
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
수용성: 물에 용해됩니다.
BRN: 906781 · 906781
안정성: 휘발성 물질
InChI: 1S/C4H6O/c5-3-4-1-2-4/h3-4H,1-2H2
InChIKey: JMYVMOUINOAAPA-UHFFFAOYSA-N
SMILES: O=CC1CC1
NIST: Cyclopropanecarboxaldehyde(1489-69-6)
EPA: Cyclopropanecarboxaldehyde (1489-69-6)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H314 (96.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 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 Information · 2건

Cyclopropanecarboxaldehyde is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopropanecarboxaldehyde are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Corr. 1 (96.2%)

규제 정보

Regulatory Information · 2건

Cyclopropanecarboxaldehyde is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopropanecarboxaldehyde are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: GZ1005000
ridadr: UN 2924 3/PG 2
HS 번호: 29122990
risk_code: 11-34
hazard_code: F,C
safety_code: 16-26-36/37/39-45
포장분류: II
위험 등급: 3
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 50,000 - <250,000 lb；2022: 50,000 - <250,000 lb；2021: 50,000 - <250,000 lb；2020: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Pharmaceutical and Medicine Manufacturing；All Other Basic Organic Chemical Manufacturing

Cyclopropanecarboxaldehyde: ACTIVE

응용 분야 · 2건

용도Cyclopropanecarboxaldehyde reacts with Grignard or organolithium reagents to give the expected secondary alcohols. These are susceptible to ring opening in the presence of HBr, providing stereoselective access to homoallylic bromides. It is also used in the synthesis of eta(2)-enonenickel complexes by reacting with [Ni(cod)(2)] (cod = 1,5-cyclooctadiene) and PBu(3) and to prepare a cyclopropylidene tetralone which underwent an enantioselective palladium-catalyzed [3+2] TMM cycloaddition providing a chiral spiro-fused cyclopentene.

일반 설명Cyclopropanecarboxaldehyde is a bifunctional compound containing a cyclopropane ring and an aldehyde group. It serves as an important intermediate in the synthesis of various cyclopropane derivatives and can participate in a range of reactions, such as condensation, reduction and oxidation, to build more complex molecules.

제조 방법

Cyclopropanecarboxaldehyde is prepared by reaction of cyclopropylmethanol. The reaction needs reagent pyridinium chlorochromate and solvent CH2Cl2 with other condition of ambient temperature for 3 hours. The yield is about 60%.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

四川伟博贸易有限公司028-65199188 13880582998 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

화합물 노트

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Cyclopropanecarboxaldehyde

기본 정보