Grundinformationen
- Standard-SMILES
Nc1ccc(Br)cc1C(F)(F)F- InChIKey
PHXGKHTWEOPCEW-UHFFFAOYSA-N- Summenformel
- C7H5BrF3N
- Durchschnittliche Molmasse
- 240,02 g/mol
- Monoisotopische Masse
- 238,95575
Namen und Bezeichner
- Bevorzugter Name
- 4-Bromo-2-(trifluoromethyl)aniline
- IUPAC
- 4-bromo-2-(trifluoromethyl)aniline
- Lokaler Name
- 4-Brom-α,α,α-trifluor-o-toluidin
- Englischer Name
- 2-Amino-5-bromobenzotrifluoride
- Summenformel
- C7H5BrF3N
- Molmasse
- 240.02
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
445-02-3- PubChem CID
- 67960
- DTXSID
DTXSID1059999- UNII
- LY2Y65FS45
- EC Number
- 207-150-8
- Nikkaji
- J196.135G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 159
Physikochemische Eigenschaften
- Schmelzpunkt
- 84 · 84~86℃/5mm
- Siedepunkt
- 84 · 84-86 °C5 mm Hg(lit.)
- Dichte
- 1.71 g/mL · 1.71 g/mL at 25 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.532(lit.)
- Flammpunkt
- 225 °F · 225 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Aggregatzustand
- clear liquid
- pka
- 0.76 · 0.76±0.10(Predicted)
- Wichte
- 1.71 · 1.71
- Farbe
- Light yellow to Yellow to Orange
- BRN
- 2211504 · 2211504
- InChI
- 1S/C7H5BrF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
- InChIKey
- PHXGKHTWEOPCEW-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Br)cc1C(F)(F)F
- CAS Datenbank
- 445 · 445-02-3(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · Benzenamine, 4-bromo-2-(trifluoromethyl)-(445-02-3)
- EPA chemische Informationen
- 4 · 4-Bromo-2-(trifluoromethyl)aniline (445-02-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (89.6%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 48 reports by companies from 7 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
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29214300
- risk_code
- 20/21/22-36/37/38-34
- hazard_code
- Xn,Xi,C
- hazard_note
- Irritant
- safety_code
- 26-36-36/37/39-45-27
- hazard_class
- 6.1
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden4-Bromo-2-(trifluoromethyl)aniline has been used in the preparation of 2,5-dibromo-(trifluoromethyl)benzene and 5-bromo-2-iodo-(trifluoromethyl)benzene.
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