시클로부탄복실산

Cyclobutanecarboxylic acid

HCID 19494CAS 3721-95-7
부분 구조 검색유사 구조 찾기

기본 정보

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

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

화학적 성질

CLEAR COLOURLESS TO SLIGHTLY AMBER LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 3건

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 · 1건

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 · 1건

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%.

상·하류 제품 정보

공급사50 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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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