Grundinformationen
- Standard-SMILES
Nc1ccc(F)c(Cl)c1- InChIKey
YSEMCVGMNUUNRK-UHFFFAOYSA-N- Summenformel
- C6H5ClFN
- Durchschnittliche Molmasse
- 145,56 g/mol
- Monoisotopische Masse
- 145,009455
Namen und Bezeichner
- Bevorzugter Name
- 3-Chloro-4-fluoroaniline
- IUPAC
- 3-chloro-4-fluoroaniline
- Lokaler Name
- 3-Chlor-4-fluoranilin
- Englischer Name
- 3-Chloro-4-fluoroaniline
- Summenformel
- C6H5ClFN
- Molmasse
- 145.56
Namen und Synonyme
3-CHLORO-4-FLUOROANILINE367-21-5Benzenamine, 3-chloro-4-fluoro-Aniline, 3-chloro-4-fluoro-7L63CC70UQNSC-10290DTXSID0038754RefChem:93423DTXCID8018754206-682-83-Chloro-4-fluorobenzenamine4-FLUORO-3-CHLOROANILINE
Weitere Namen anzeigen
FluorochloroanilineNSC 102903-Chloro-4-fluAKOS BBS-00003577Chloro-4-fluoroanil3-Chloro-4-fluoroaniGefitinib Impurity KGefitinib IMpurity V
3-Chloro-4-fluorophenylamineGefitinib Impurity 363-chloro-4-fluoro aniline3-chloro-4-fluoro-anilineMFCD000077674-fluoro-3-chlorophenylamine3-Chloro-4-fluoroaniline(Chunks or pellets)3-chloro-4-fluoro-phenylamine
Datenbank-Bezeichner
- CAS
367-21-5- PubChem CID
- 9708
- DTXSID
DTXSID0038754- UNII
- 7L63CC70UQ
- EC Number
- 206-682-8
- Nikkaji
- J94.735K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 99
Physikochemische Eigenschaften
- Schmelzpunkt
- 42 · 42-44 °C (lit.)
- Siedepunkt
- 227 · 227-228 °C (lit.)
- Dichte
- 1 · 1,226 g/cm3
- Dampfdruck
- 0.01 hPa · 0.01 hPa (20 °C)
- Brechungsindex
- 1 · 1,54-1,542
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 10 g/l · 10g/l
- pka
- 3.6 · 3.60±0.10(Predicted)
- Aggregatzustand
- Crystalline Solid
- Farbe
- Beige to brown
- PH
- 7 · 7 (10g/l, H2O, 20℃)
- Wasserlöslichkeit
- 10 g/L · 10 g/L (20 ºC)
- BRN
- 1562786 · 1562786
- Stabilität
- Stable. Incompatible with strong oxidizing agents, acids, acid chlorides, acid anhydrides, chloroformates. May be air-sensitive.
- InChI
- 1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
- InChIKey
- YSEMCVGMNUUNRK-UHFFFAOYSA-N
- SMILES
- Nc1ccc(F)c(Cl)c1
- CAS Datenbank
- 367 · 367-21-5(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · 3-Chloro-4-fluoroaniline (367-21-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (55.7%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (43%): Harmful if swallowed [Warning Acute toxicity, oral]；H311 (60.8%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H318 (36.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H331 (55.7%): Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 (60.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 79 reports by companies from 10 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
Regulatory Information
Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24633
3-Chloro-4-fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (55.7%)；Acute Tox. 4 (43%)；Acute Tox. 3 (60.8%)；Eye Dam. 1 (36.7%)；Acute Tox. 3 (55.7%)；STOT RE 2 (60.8%)
Regulatorische Informationen
Regulatory Information
Status: Active Update: 25-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24633
3-Chloro-4-fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 9-23
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29214210
- risk_code
- 23/24/25-33-36/37/38-20/21/22
- Toxizität
- LD50 orally in Rabbit: 506 mg/kg
- hazard_code
- T,Xi,Xn
- hazard_note
- Irritant/Toxic
- safety_code
- 36/37/39-45-26
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralSTOT RE 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzenamine, 3-chloro-4-fluoro-: ACTIVE
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