2-(3-(Trifluoromethyl)phenyl)acetaldehyde
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Grundinformationen
- CAS
21172-31-6- Standard-SMILES
O=CCc1cccc(C(F)(F)F)c1- InChIKey
LFHOLZIJDWJFKT-UHFFFAOYSA-N- Summenformel
- C9H7F3O
- Durchschnittliche Molmasse
- 188,15 g/mol
- Monoisotopische Masse
- 188,04489933
Namen und Bezeichner
- Bevorzugter Name
- 2-(3-(Trifluoromethyl)phenyl)acetaldehyde
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]acetaldehyde
- Englischer Name
- 2-(3-(Trifluoromethyl)phenyl)acetaldehyde
- Summenformel
- C9H7F3O
- Molmasse
- 188.15
Namen und Synonyme
2-(3-(TRIFLUOROMETHYL)PHENYL)ACETALDEHYDE2-[3-(trifluoromethyl)phenyl]acetaldehydeRefChem:455044866-122-921172-31-6MFCD08703365[3-(Trifluoromethyl)phenyl]acetaldehyde(3-trifluoromethylphenyl)acetaldehyde3-(Trifluoromethyl)phenylacetaldehydeSCHEMBL39835SCHEMBL1758495DTXSID80611597
Weitere Namen anzeigen
3-(Trifluoromethyl)benzeneacetaldehydeBenzeneacetaldehyde, 3-(trifluoromethyl)-
3-trifluoromethylphenylacetaldehydeAKOS010078552AB48484DA-19286SY280207CS-0216039(3-TRIFLUOROMETHYL-PHENYL)-ACETALDEHYDEEN300-323131
Datenbank-Bezeichner
- CAS
21172-31-6- PubChem CID
- 21246339
- DTXSID
DTXSID80611597- EC Number
- 866-122-9
- Nikkaji
- J2.444.304C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,5
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 176
Physikochemische Eigenschaften
- Siedepunkt
- 199.5 · 199.5±35.0 °C(Predicted)
- Dichte
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- Aggregatzustand
- solid
- InChI
- 1S/C9H7F3O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13/h1-3,5-6H,4H2
- InChIKey
- LFHOLZIJDWJFKT-UHFFFAOYSA-N
- SMILES
- FC(F)(C1=CC=CC(CC=O)=C1)F
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
Danger
H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (33.3%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anbieter9 Anbieter
赛纳斯特化学（欢迎点击联系）021-60343070
上海洪创医药科技有限公司18151128828 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海庞通生物科技有限公司13636417373 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
福州福康医药科技有限公司18150835816 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
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