Cyclopropancarbonsure
Cyclopropanecarboxylic acid
Grundinformationen
- CAS
1759-53-1- Standard-SMILES
O=C(O)C1CC1- InChIKey
YMGUBTXCNDTFJI-UHFFFAOYSA-N- Summenformel
- C4H6O2
- Durchschnittliche Molmasse
- 86,09 g/mol
- Monoisotopische Masse
- 86,03677943
Überblick
Cyclopropanecarboxylic acid is a monocarboxylic acid and a member of cyclopropanes. It is a conjugate acid of a cyclopropanecarboxylate.
Namen und Bezeichner
- Bevorzugter Name
- Cyclopropanecarboxylic acid
- IUPAC
- cyclopropanecarboxylic acid
- Lokaler Name
- Cyclopropancarbonsure
- Englischer Name
- Cyclopropanecarboxylic acid
- Summenformel
- C4H6O2
- Molmasse
- 86.09
Namen und Synonyme
CYCLOPROPANECARBOXYLIC ACID1759-53-1CarboxycyclopropaneCyclopropylcarboxylic acidCyclopropionic acidCyclopropane carboxylic acidCPCA cpdNSC-1112DTXSID1040665CHEBI:23500008803351SRefChem:581141
Weitere Namen anzeigen
CYCLOPROPYL CARBOXYLIC ACIDcyclopropanecarboxylicCyclopropane cCyclopropanic acidRARECHEM AL BO 0005Ring propyl forMateOlapali impurity 20
DTXCID9020665217-162-5CPC-acidMFCD00001287CyclopropanecarboxylicacidCyclopropylmethanoic acidcyclopropancarboxylic acidCyclpropanecarboxylic acid
Datenbank-Bezeichner
- CAS
1759-53-1- PubChem CID
- 15655
- DTXSID
DTXSID1040665- ChEMBL
CHEMBL4649900- ChEBI
CHEBI:23500- UNII
- 008803351S
- EC Number
- 217-162-5
- Nikkaji
- J23.483D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 73,6
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Organic Acids
SpringerMaterials PropertiesSchoenflies notation
LogP0.63
Vapor Pressure1.53 [mmHg]
Physical DescriptionClear light yellow liquid; mp = 14-17 deg C; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 14 · 14-17 °C (lit.)
- Siedepunkt
- 182 · 182-184 °C (lit.)
- Dichte
- 1.081 g/mL · 1.081 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.438(lit.)
- Flammpunkt
- 161 °F · 161 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- soluble in Chloroform, Ethyl Acetate
- Aggregatzustand
- Liquid
- pka
- 4.83 · 4.83(at 25℃)
- Farbe
- Clear colorless to light yellow
- PH
- 3 · 3 (10g/l, H2O, 22℃)
- BRN
- 969839 · 969839
- InChI
- 1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)
- InChIKey
- YMGUBTXCNDTFJI-UHFFFAOYSA-N
- SMILES
- OC(=O)C1CC1
- LogP
- 0.63 · 0.630
- CAS Datenbank
- 1759 · 1759-53-1(CAS DataBase Reference)
- NIST chemische Informationen
- Cyclopropanecarboxylic acid(1759-53-1)
- EPA chemische Informationen
- Cyclopropanecarboxylic acid (1759-53-1)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 25.5% (37 of 145) of reports.
Danger
H302 (46.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 145 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclopropanecarboxylic acid
REACH registered substance: Cyclopropanecarboxylic acid (EC: 217-162-5)
Cyclopropanecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntraperitoneal LD50 (mouse) = 172 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (46.2%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29162000
- RTECS-Nr.
- GZ1100000
- risk_code
- 34-22
- Toxizität
- mouse,LD50,intraperitoneal,172mg/kg (172mg/kg),Journal of Pharmacy and Pharmacology. Vol. 21, Pg. 85, 1969.
- hazard_code
- C,Xi
- hazard_note
- Irritant/Corrosive
- safety_code
- 26-36/37/39-45-27
- hazard_class
- 8
- packing_group
- II
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an intermediate for agrochemicals, pharmaceuticals, and other organic chemicals; [REPROTOX]
General Manufacturing InformationCyclopropanecarboxylic acid: ACTIVE
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