cis-2-Fluorocyclopropanecarboxylic acid

HCID 9793716

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Grundinformationen

CAS: 105919-34-4
Standard-SMILES: O=C(O)[C@@H]1C[C@@H]1F
InChIKey: HZQKMZGKYVDMCT-GBXIJSLDSA-N
Summenformel: C4H5FO2
Durchschnittliche Molmasse: 104,08 g/mol
Monoisotopische Masse: 104,02735756

Namen und Bezeichner

Bevorzugter Name: cis-2-Fluorocyclopropanecarboxylic acid
IUPAC: cis-(1S,2S)-2-fluorocyclopropane-1-carboxylic acid
Englischer Name: (1S,2S)-2-fluorocyclopropanecarboxylic acid
Summenformel: C4H5FO2
Molmasse: 104.08

Namen und Synonyme

105919-34-4cis-2-fluorocyclopropanecarboxylic acidRefChem:394025852-129-4(1S,2S)-2-fluorocyclopropanecarboxylic acid127199-14-8(1s,2s)-2-fluorocyclopropane-1-carboxylic acidCyclopropanecarboxylic acid, 2-fluoro-, (1S,2S)-MFCD19237459cis-2-Fluoro-cyclopropanecarboxylic acidcis-2-Fluorocyclopropane-1-carboxylic acidSitafloxacin Impurity 28

Weitere Namen anzeigen

-rel-2-Fluorocyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2-fluoro-, cis-cis-2-Fluorocyclopropanecarboxylic acid, 99.7%rel-(1R,2R)-2-Fluorocyclopropanecarboxylic acid(1S,2S)-rel-2-Fluorocyclopropanecarboxylic acid(1S,2S)-cis-2-Fluorocyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2-fluoro-, (1S-cis)-

(cis)-2-fluorocyclopropanecarboxylic acid(1S,2S)-2-fluorocyclopropanecarboxylicacidSCHEMBL1463730HZQKMZGKYVDMCT-GBXIJSLDSA-NDTXSID901262266CFA19914CS1221AKOS006294678

Datenbank-Bezeichner

CAS: 105919-34-4、127199-14-8
PubChem CID: 9793716
DTXSID: DTXSID901262266
EC Number: 813-065-2、852-129-4
Nikkaji: J790.393F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 7
Formalladung: 0
Komplexität: 102

Physikochemische Eigenschaften

Schmelzpunkt: 71 · 71-72 °C
Siedepunkt: 202.3 · 202.3±33.0 °C(Predicted)
Dichte: 1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 3.78 · 3.78±0.20(Predicted)
Aggregatzustand: solid
Farbe: White
InChI: InChI=1/C4H5FO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)/t2-,3+/s3
InChIKey: HZQKMZGKYVDMCT-SAIMQKSHNA-N
SMILES: [C@H]1(C(O)=O)C[C@H]1F |&1:0,5,r|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.