α,α,α-Trifluor-m-kresol
3-(Trifluoromethyl)phenol
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Grundinformationen
- CAS
98-17-9- Standard-SMILES
Oc1cccc(C(F)(F)F)c1- InChIKey
UGEJOEBBMPOJMT-UHFFFAOYSA-N- Summenformel
- C7H5F3O
- Durchschnittliche Molmasse
- 162,11 g/mol
- Monoisotopische Masse
- 162,02924926
Namen und Bezeichner
- Bevorzugter Name
- 3-(Trifluoromethyl)phenol
- IUPAC
- 3-(trifluoromethyl)phenol
- Lokaler Name
- α,α,α-Trifluor-m-kresol
- Englischer Name
- 3-Trifluoromethylphenol
- Summenformel
- C7H5F3O
- Molmasse
- 162.11
Namen und Synonyme
3-(Trifluoromethyl)phenol98-17-93-Trifluoromethylphenol3-Hydroxybenzotrifluoridem-HydroxybenzotrifluoridePhenol, 3-(trifluoromethyl)-NSC-9884R2R9N38UDYDTXSID7052658RefChem:496410DTXCID8031231202-645-5
Weitere Namen anzeigen
META-HYDROXYBENZOTRIFLUORIDETIMTEC-BB SBB0083293-HydroxybenzotrifL3-Trifluoromethylphe,,-Trifluoro-m-cresolTravoprost Impurity 37Trovoprost impurity 17
alpha,alpha,alpha-Trifluoro-m-cresolm-(Trifluoromethyl)phenola,a,a-trifluoro-m-cresol5-TRIFLUOROMETHYLPHENOLm-trifluoromethylphenolMFCD00002299m-Cresol, .alpha.,.alpha.,.alpha.-trifluoro-NSC 9884
Datenbank-Bezeichner
- CAS
98-17-9- PubChem CID
- 7376
- DTXSID
DTXSID7052658- ChEMBL
CHEMBL57877- ChEBI
CHEBI:195128- UNII
- R2R9N38UDY
- EC Number
- 202-645-5
- Nikkaji
- J21.631C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 132
Experimentelle und physikochemische Eigenschaften
Ionization Efficiency
Negative
2.71
10.5
Agilent 6495
Electrospray ionization
ammonia (10nM)
Collision Cross Section121.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7052658]
Physikochemische Eigenschaften
- Schmelzpunkt
- 2 · −2-−1.8 °C(lit.)
- Siedepunkt
- 178 · 178-179 °C(lit.)
- Dichte
- 1.333 g/mL · 1.333 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.56 mm · 0.56 mm Hg ( 40 °C)
- Brechungsindex
- 20 · n20/D 1.458(lit.)
- Flammpunkt
- 165 °F · 165 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- Liquid
- pka
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 0.8% (1 of 124) of reports.
Danger
H301 (31.5%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (33.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (37.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (66.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (33.1%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (29%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (31.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (32.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (62.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, 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 124 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 124 reports by companies.；There are 14 notifications provided by 123 of 124 reports by companies with hazard statement code(s).；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.
Gefahrenhinweise
Regulatory Information
Chemical: Phenol, 3-(trifluoromethyl)-
Status: Active Update: 22-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/5566
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPhenol, 3-(trifluoromethyl)-: ACTIVE
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Zugehörige Reaktionen
299
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