기본 정보
- CAS
6914-71-2- 표준 SMILES
COC(=O)C1(C(=O)OC)CC1- InChIKey
PWLLZZMFFZUSOG-UHFFFAOYSA-N- 분자식
- C7H10O4
- 평균 분자량
- 158.15 g/mol
- 단동위원소 질량
- 158.0579088
이름 및 식별자
- 우선 이름
- 1,1-Cyclopropanedicarboxylic acid, 1,1-dimethyl ester
- IUPAC
- dimethyl cyclopropane-1,1-dicarboxylate
- 영어명
- 1,1-Cyclopropanedicarboxylic acid dimethyl ester
- 분자식
- C7H10O4
- 분자량
- 158.15
이름 및 동의어
dimethyl cyclopropane-1,1-dicarboxylatedimethylcyclopropane-1,1-dicarboxylate1,1-Cyclopropanedicarboxylic acid, 1,1-dimethyl esterEC 414-240-2PWLLZZMFFZUSOG-UHFFFAOYSA-RefChem:409727414-240-2672-066-4InChI=1/C7H10O4/c1-10-5(8)7(3-4-7)6(9)11-2/h3-4H2,1-2H36914-71-21,1-Cyclopropanedicarboxylic acid dimethyl esterDimethyl 1,1-cyclopropanedicarboxylate
이름 더 보기
CADCDMCALD1CDG1ZGATD4EIEE501,1-cycLL-caldesmonopropanedicarboxyL
MFCD001920791,1-Cyclopropanedicarboxylic acid, dimethyl estercyclopropane-1,1-dicarboxylic acid dimethyl ester1,1-dimethyl cyclopropane-1,1-dicarboxylate151444-20-1NK7BSJ4KPDSCHEMBL225044SCHEMBL7667936
데이터베이스 식별자
- CAS
6914-71-2- PubChem CID
- 2769539
- DTXSID
DTXSID9074351- UNII
- NK7BSJ4KPD
- EC Number
- 414-240-2、672-066-4
- Nikkaji
- J81.292G
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 175
실험 및 물리화학적 성질
SpringerMaterials PropertiesSurface tension
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 196 · 196-198 °C (lit.)
- 밀도
- 1.147 g/mL · 1.147 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.441(lit.)
- 인화점
- 203 °F · 203 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 투명한 액체
- 색상
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C7H10O4/c1-10-5(8)7(3-4-7)6(9)11-2/h3-4H2,1-2H3
- InChIKey
- PWLLZZMFFZUSOG-UHFFFAOYSA-N
- SMILES
- C(C1(CC1)C(=O)OC)(=O)OC
- EPA
- 1 · 1,1-Cyclopropanedicarboxylic acid, dimethyl ester (6914-71-2)
안전 및 규제
GHS 분류
GHS Classification
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 118 reports by companies from 1 notifications to the ECHA C&L Inventory.
H412 (95.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
유해성 정보
Regulatory Information
1,1-Cyclopropanedicarboxylic acid, 1,1-dimethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,1-Cyclopropanedicarboxylic acid, 1,1-dimethyl ester 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.
Status: Active Update: 19-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/5111
Hazard Classes and Categories
Aquatic Chronic 3 (100%)
Aquatic Chronic 3 (95.1%)
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- HS 번호
- 2902190000
- risk_code
- 52/53
- safety_code
- 61
- Hazard Classifications
- Aquatic Chronic 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
1,1-Cyclopropanedicarboxylic acid, 1,1-dimethyl ester: ACTIVE
응용 분야
용도Dimethyl 1,1-cyclopropanedicarboxylate may be used in the preparation of α-diazo-β-ketoester.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
관련 반응
25건
화합물 노트
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