Grundinformationen
- Standard-SMILES
Nc1cc(Cl)c(Cl)cc1Cl- InChIKey
GUMCAKKKNKYFEB-UHFFFAOYSA-N- Summenformel
- C6H4Cl3N
- Durchschnittliche Molmasse
- 196,5 g/mol
- Monoisotopische Masse
- 194,94093217
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 2,4,5-Trichloroaniline
- IUPAC
- 2,4,5-trichloroaniline
- Lokaler Name
- 2,4,5-Trichloranilin
- Englischer Name
- 2,4,5-Trichloroaniline
- Summenformel
- C6H4Cl3N
- Molmasse
- 196.46
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
636-30-6- PubChem CID
- 12487
- DTXSID
DTXSID5044152- UNII
- 7XKK8S8WO0
- EC Number
- 211-254-9
- Nikkaji
- J2.099K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 120
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 93 · 93-95 °C(lit.)
- Siedepunkt
- 270 °C · 270 °C(lit.)
- Dichte
- 1.6807 · 1.6807 (rough estimate)
- Brechungsindex
- 1.63 · 1.6300 (estimate)
- Flammpunkt
- 175 °C · 175 °C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 0.96 · 0.96±0.10(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- Wasserlöslichkeit
- 0.094 g/L · 0.094 g/L (15 ºC)
- BRN
- 879091 · 879091
- Henry's Law Constant
- 1.3 · 1.3×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- 1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
- InChIKey
- GUMCAKKKNKYFEB-UHFFFAOYSA-N
- SMILES
- Nc1cc(Cl)c(Cl)cc1Cl
- CAS Datenbank
- 636 · 636-30-6(CAS DataBase Reference)
- NIST chemische Informationen
- 2 · Benzenamine, 2,4,5-trichloro-(636-30-6)
- EPA chemische Informationen
- 2 · 2,4,5-Trichloroaniline (636-30-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 199) of reports.
Danger
H301 (99.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 199 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenamine, 2,4,5-trichloro-
Status: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/13468
2,4,5-Trichloroaniline: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29214210
- risk_code
- 23/24/25-33-50/53
- hazard_code
- T,N
- hazard_note
- Toxic
- safety_code
- 28-36/37-45-60-61-28A
- hazard_class
- 6.1
- packing_group
- II
- 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 OralAquatic Acute 1Aquatic Chronic 1STOT RE 2 Oral
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2,4,5-Trichloroaniline is a chlorinated aniline used in the preparation of azo dyes, insecticides, herbicides as well as in antiviral agents.
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