Cyclobutancarbonsure

Cyclobutanecarboxylic acid

HCID 19494CAS 3721-95-7
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Grundinformationen

Standard-SMILES
O=C(O)C1CCC1
InChIKey
TXWOGHSRPAYOML-UHFFFAOYSA-N
Summenformel
C5H8O2
Durchschnittliche Molmasse
100,12 g/mol
Monoisotopische Masse
100,0524295

Namen und Bezeichner

Bevorzugter Name
Cyclobutanecarboxylic acid
IUPAC
cyclobutanecarboxylic acid
Lokaler Name
Cyclobutancarbonsure
Englischer Name
Cyclobutanecarboxylic acid
Summenformel
C5H8O2
Molmasse
100.12

Namen und Synonyme

CYCLOBUTANECARBOXYLIC ACID3721-95-7Cyclobutylcarboxylic acidDTXSID3057725NSC 4535EINECS 223-072-7cyclobutane-1-carboxylic acidBRN 18167770RDJ7C51O0NSC-4535DTXCID40315144-09-00-00006 (Beilstein Handbook Reference)
Weitere Namen anzeigen
cyclobutanecarboxylateobutanecarboxyLRing 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

Datenbank-Bezeichner

CAS
3721-95-7
PubChem CID
19494
DTXSID
DTXSID3057725
ChEMBL
CHEMBL3560137
UNII
0RDJ7C51O0
EC Number
223-072-7
Nikkaji
J67.761B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,8
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
7

Experimentelle und physikochemische Eigenschaften

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]

Physikochemische Eigenschaften

Schmelzpunkt
7.5 °C · −7.5 °C(lit.)
Siedepunkt
195 °C · 195 °C(lit.)
Dichte
1.047 g/mL · 1.047 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.444(lit.)
Flammpunkt
183 °F · 183 °F
storage temp.
Sealed in dry,Room Temperature

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
13
wgk
3
tsca
TSCA listed
ridadr
3265
hs_code
29162000
RTECS-Nr.
GU1335000

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationCyclobutanecarboxylic acid: INACTIVE
Anwendungen · 1 Eintrag

VerwendenCyclobutanecarboxylic 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.

Darstellung · 1 Eintrag

synthetischeCyclobutanecarboxylic 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%.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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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