4-Chlor-α,α,α-trifluor-3-nitrotoluol
4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene
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Grundinformationen
- CAS
121-17-5- Standard-SMILES
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl- InChIKey
TZGFQIXRVUHDLE-UHFFFAOYSA-N- Summenformel
- C7H3ClF3NO2
- Durchschnittliche Molmasse
- 225,55 g/mol
- Monoisotopische Masse
- 224,98044068
Überblick
3-nitro-4-chlorobenzotrifluoride appears as a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Namen und Bezeichner
- Bevorzugter Name
- 4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene
- IUPAC
- 1-chloro-2-nitro-4-(trifluoromethyl)benzene
- Lokaler Name
- 4-Chlor-α,α,α-trifluor-3-nitrotoluol
- Englischer Name
- 4-Chloro-3-nitrobenzotrifluoride
- Summenformel
- C7H3ClF3NO2
- Molmasse
- 225.55
Namen und Synonyme
Benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-4-Chloro-alpha,alpha,alpha-trifluoro-3-nitrotolueneRefChem:984474-CHLORO-3-NITROBENZOTRIFLUORIDE121-17-51-Chloro-2-nitro-4-(trifluoromethyl)benzene3-Nitro-4-chlorobenzotrifluoride2-Chloro-5-(trifluoromethyl)nitrobenzene2-Nitro-4-trifluoromethylchlorobenzeneCMNT3-Nitro-4-chlorotrifluoromethylbenzene4-Chloro-3-nitro-a,a,a-trifluorotoluene
Weitere Namen anzeigen
MNT-Cl4-chloro-1-trifluoTIMTEC-BB SBB009923oro-3-nitrobenzotrifLRegorafenib impurity 118Chloro-3-nitrobenzotrifluor4-chloro-3-nitro-benzotrifluorid
4-Chloro-3-nitrobenzylidyne fluoride4-Chloro-3-nitro-1-(trifluoromethyl)benzene4-Chloro-3-nitro-alpha,alpha,alpha-trifluorotolueneNSC 8760Benzotrifluoride, 4-chloro-3-nitro-2-Chloro-5-trifluoromethylnitrobenzeneDTXSID2024799MFCD00007084
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 45,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 228
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Density1.542 at 59.9 °F (NTP, 1992) - Denser than water; will sink
SolubilityInsoluble (NTP, 1992)
Boiling Point432.7 °F at 760 mmHg (NTP, 1992)
Melting Point27.5 °F (NTP, 1992)
Physical Description
3-nitro-4-chlorobenzotrifluoride appears as a colorless to dark-colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.
Colorless to dark-colored liquid; [CAMEO] Yellow liquid;
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
Warning
H302 (96.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, 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 53 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationStatus: Active Update: 02-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/5781
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 152 [Substances - Toxic (Combustible)]:
· Highly toxic, may be fatal if inhaled, ingested or absorbed through skin.
Hazards Summary
A mutagen and mild eye irritant; Causes somnolence, tremor, and ataxia in lethal-dose feeding studies of rats; [RTECS] A skin, eye, and mucous membrane irritant; Highly toxic by inhalation, ingestion, and skin absorption; [CAMEO] An irritant; [MSDSonline]
DOT ID and Guide2307 152
Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a chemical intermediate for herbicides; Not commercially produced in the US; [HSDB]
CHEM INT FOR HERBICIDES, EG, FLUORODIFEN
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
(1978) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1979) NOT PRODUCED COMMERCIALLY IN US
Methods of ManufacturingREACTION OF 4-CHLOROBENZOTRICHLORIDE WITH ANHYDROUS HYDROGEN FLUORIDE UNDER ATMOSPHERIC OR HIGH PRESSURE CONDITIONS, FOLLOWED BY NITRATION OF THE RESULTING 4-CHLOROBENZOTRIFLUORIDE
General Manufacturing InformationBenzene, 1-chloro-2-nitro-4-(trifluoromethyl)-: ACTIVE
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