시클로부탄복실산
Cyclobutanecarboxylic acid
기본 정보
- CAS
3721-95-7- 표준 SMILES
O=C(O)C1CCC1- InChIKey
TXWOGHSRPAYOML-UHFFFAOYSA-N- 분자식
- C5H8O2
- 평균 분자량
- 100.12 g/mol
- 단동위원소 질량
- 100.0524295
이름 및 식별자
- 우선 이름
- Cyclobutanecarboxylic acid
- IUPAC
- cyclobutanecarboxylic acid
- 현지명
- 시클로부탄복실산
- 영어명
- Cyclobutanecarboxylic acid
- 분자식
- C5H8O2
- 분자량
- 100.12
이름 및 동의어
CYCLOBUTANECARBOXYLIC ACID3721-95-7Cyclobutylcarboxylic acidDTXSID3057725NSC 4535EINECS 223-072-7cyclobutane-1-carboxylic acidBRN 18167770RDJ7C51O0NSC-4535DTXCID40315144-09-00-00006 (Beilstein Handbook Reference)
이름 더 보기
시클로부탄복실산사이클로뷰테인카복실산시클로부탄카르복실산cyclobutanecarboxylateobutanecarboxyLRing butyl forMateRARECHEM AL BO 0291Cyclo-butyl formic aCyclobutancarbonsureCYCLO-BUTYL FORMIC ACIDCyclobutanecarbonyl acid
RefChem:580233223-072-7MFCD00001323cyclobutane carboxylic acidCarboplatin Impurity 6UNII-0RDJ7C51O0Cyclobutanecarboxylic Acid; Cyclobutane-1-carboxylic acid; Cyclobutylcarboxylic Acid; NSC 4535Carboplatin Impurity 21
데이터베이스 식별자
- CAS
3721-95-7- PubChem CID
- 19494
- DTXSID
DTXSID3057725- ChEMBL
CHEMBL3560137- UNII
- 0RDJ7C51O0
- EC Number
- 223-072-7
- Nikkaji
- J67.761B
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 7
- 형식 전하
- 0
- 복잡도
- 84.1
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesDiamagnetic susceptibility
Physical DescriptionColorless liquid with a stench; [Alfa Aesar MSDS]
Collision Cross Section121.73 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 7.5 °C · −7.5 °C(lit.)
- 끓는 점
- 195 °C · 195 °C(lit.)
- 밀도
- 1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.444(lit.)
- 인화점
- 183 °F · 183 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름, 메탄올에 용해됨
- 산도 계수 (pKa)
- 1 · pK1:4.785 (25°C)
- 물리적 상태
- 액체
- Specific Gravity
- 1.047 · 1.047
- 색상
- 무색~황색으로 투명함
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 104 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Cyclobutanecarboxylic acid
Status: Active Update: 28-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24735
Cyclobutanecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 1,270 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (37.5%)
독성 정보
Adverse EffectsDermatotoxin - Skin burns.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GU1335000
- ridadr
- 3265
- HS 번호
- 29162000
- risk_code
- 36/37/38-34-20/21/22
화학 및 산업
용도 및 제조
General Manufacturing InformationCyclobutanecarboxylic acid: INACTIVE
응용 분야
용도Cyclobutanecarboxylic acid is used in water treatment, row materials for sodium fluosilicate potassium fluosilicateammonium fluosilicatecopper fluosilicatebarium fluosilicate and other fluosilicates and silicic tetrafluoride. It is also used in refining lead of electrolysis, as mordant and in the treatment of metal surface.
제조 방법
Cyclobutanecarboxylic acid synthesis: Put 1,1-Cyclobutanedicarboxylic acid into a distillation device for heating, decarboxylate at about 160°C to release carbon dioxide, then heat for distillation, collect 189-195°C fractions as crude product, and re-distill to obtain the finished product cyclobutanecarboxylic acid. Yield 86%-91%.
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