3-Fluorobenzyl isocyanate
Grundinformationen
- CAS
102422-56-0- Standard-SMILES
O=C=NCc1cccc(F)c1- InChIKey
PHRJTGPFEAUEBC-UHFFFAOYSA-N- Summenformel
- C8H6FNO
- Durchschnittliche Molmasse
- 151,14 g/mol
- Monoisotopische Masse
- 151,04334198
Namen und Bezeichner
- Bevorzugter Name
- 3-Fluorobenzyl isocyanate
- IUPAC
- 1-fluoro-3-(isocyanatomethyl)benzene
- Englischer Name
- 3-Fluorobenzyl isocyanate
- Summenformel
- C8H6FNO
- Molmasse
- 151.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
102422-56-0- PubChem CID
- 643499
- DTXSID
DTXSID60349200- EC Number
- 627-796-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 29,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 165
Physikochemische Eigenschaften
- Siedepunkt
- 209 °C · 209 °C (lit.)
- Dichte
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- Brechungsindex
- 20 · n20/D 1.506(lit.)
- Flammpunkt
- 195 °F · 195 °F
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless
- InChI
- 1S/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
- InChIKey
- PHRJTGPFEAUEBC-UHFFFAOYSA-N
- SMILES
- Fc1cccc(CN=C=O)c1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3080 6.1/PG 2
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
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