2-Chlor-α,α,α-trifluortoluol

1-Chloro-2-(trifluoromethyl)benzene

HCID 6921CAS 52181-51-8

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Grundinformationen

Standard-SMILES: FC(F)(F)c1ccccc1Cl
InChIKey: DGRVQOKCSKDWIH-UHFFFAOYSA-N
Summenformel: C7H4ClF3
Durchschnittliche Molmasse: 180,55 g/mol
Monoisotopische Masse: 179,9953623

Namen und Bezeichner

Bevorzugter Name: 1-Chloro-2-(trifluoromethyl)benzene
IUPAC: 1-chloro-2-(trifluoromethyl)benzene
Lokaler Name: 2-Chlor-α,α,α-trifluortoluol
Englischer Name: 2-Chlorobenzotrifluoride
Summenformel: C7H4ClF3
Molmasse: 180.55

Namen und Synonyme

2-Chlorobenzotrifluoride88-16-41-Chloro-2-(trifluoromethyl)benzeneo-ChlorobenzotrifluorideChlorobenzotrifluoride2-Chloro(trifluoromethyl)benzeneo-(Trifluoromethyl)chlorobenzeneBenzene, 1-chloro-2-(trifluoromethyl)-2-Chloro-alpha,alpha,alpha-trifluorotolueneo-(Trifluoromethyl)phenyl chloride52181-51-8o-Chloro-alpha,alpha,alpha-trifluorotoluene

Weitere Namen anzeigen

2-Chloro-alpha2-Chlorobenzotrifluo2-Chlorobezotrifluorideo-TrifluoromethylphenylO-CHLOROBENZOTRIFLURIDE2-CHLOROTRIFLUOROTOLUENE

Benzene, chloro(trifluoromethyl)-Chlorotrifluorotoluene(Trifluoromethyl)chlorobenzeneCHLORO(TRIFLUOROMETHYL)BENZENENSC 10307CCRIS 2809DTXSID90247742-(TRIFLUOROMETHYL)CHLOROBENZENE

Datenbank-Bezeichner

CAS: 52181-51-8、88-16-4
PubChem CID: 6921
DTXSID: DTXSID9024774
ChEMBL: CHEMBL1301432
UNII: 0V2SO8M97N
EC Number: 201-805-1
Nikkaji: J61.498J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 132

Experimentelle und physikochemische Eigenschaften

Density1.254 @ 30°C

Boiling Point152.2 °C @760 [mm Hg]

Kovats Retention Index883.4；883.4

Physikochemische Eigenschaften

Schmelzpunkt: -7.4 °C · -7.4 °C
Siedepunkt: 152 °C · 152 °C(lit.)
Dichte: 1.379 g/mL · 1.379 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.456(lit.)
Flammpunkt: 138 °F · 138 °F
storage temp.: Flammables area
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 1.379 · 1.379
Explosionsgrenze: 1.7 % · 1.7%(V)
Wasserlöslichkeit: 0.1 g/100 · <0.1 g/100 mL at 19.5 ºC
BRN: 510993 · 510993
Stabilität: Stable. Flammable. Incompatible with strong oxidizing agents, strong bases.
InChI: 1S/C7H4ClF3/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
InChIKey: DGRVQOKCSKDWIH-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccccc1Cl
CAS Datenbank: 88 · 88-16-4(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-chloro-2-(trifluoromethyl)-(88-16-4)
EPA chemische Informationen: 2 · 2-Chlorobenzotrifluoride (88-16-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (90.8%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (76.8%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (87.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 284 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 · 3 Einträge

Chemical: Benzene, 1-chloro-2-(trifluoromethyl)-

1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 3 (90.8%)；Acute Tox. 4 (76.8%)；Skin Irrit. 2 (88%)；Eye Irrit. 2 (88%)；STOT SE 3 (87.7%)

Flammable agents - 2nd degree, Reactive agents - 1st degree

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

20 [mg/m3]

220 [mg/m3]

1300 [mg/m3]

Regulatorische Informationen

Regulatory Information · 3 Einträge

Chemical: Benzene, 1-chloro-2-(trifluoromethyl)-

1-Chloro-2-(trifluoromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2234 (CHLOROBENZOTRIFLUORIDES)
hs_code: 29036990
RTECS-Nr.: XS9141000
risk_code: 10-36/37/38-22
hazard_code: Xi,F,Xn,N
hazard_note: Flammable/Irritant
safety_code: 26-36-36/37/39-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3