α,α,α,β,β,β-Hexafluor-m-xylol

Benzene, 1,3-bis(trifluoromethyl)-

HCID 223106CAS 402-31-3
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Grundinformationen

Standard-SMILES
FC(F)(F)c1cccc(C(F)(F)F)c1
InChIKey
SJBBXFLOLUTGCW-UHFFFAOYSA-N
Summenformel
C8H4F6
Durchschnittliche Molmasse
214,11 g/mol
Monoisotopische Masse
214,0217191

Namen und Bezeichner

Bevorzugter Name
Benzene, 1,3-bis(trifluoromethyl)-
IUPAC
1,3-bis(trifluoromethyl)benzene
Lokaler Name
α,α,α,β,β,β-Hexafluor-m-xylol
Englischer Name
1,3-Bis(trifluoromethyl)-benzene
Summenformel
C8H4F6
Molmasse
214.11

Namen und Synonyme

1,3-Bis(trifluoromethyl)benzene402-31-3Benzene, 1,3-bis(trifluoromethyl)-m-Bis(trifluoromethyl)benzenealpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-m-xyleneNSC 103423,5-bis(trifluoromethyl)benzeneEINECS 206-939-4AI3-52239DTXSID1059949EC 206-939-4m-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-
Weitere Namen anzeigen
MTF-TFM1,3-DI(TRIFLUOROMETHYL)BENZENEM-trifluorotolueneXylene hexafluoridem-Ditrifluorotoluene1,3-Bis(trifluorometM-XYLENE HEXAFLUORIDEMeta-trifluorotoluene
RefChem:562280DTXCID4039730m-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-(8CI)InChI=1/C8H4F6/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-41,3-Bis(trifluoromethyl)-benzeneMFCD00000392Hexafluoro-m-xylenealpha,alpha,alpha,beta,beta,beta-Hexafluoro-m-xylene

Datenbank-Bezeichner

CAS
402-31-3
PubChem CID
223106
DTXSID
DTXSID1059949
UNII
F7TWF66P6X
EC Number
206-939-4
Nikkaji
J37.675B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,8
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
0
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Density1.378 @25 °C
Boiling Point116 °C @760 [mm Hg]
Kovats Retention Index700

Physikochemische Eigenschaften

Schmelzpunkt
-35 °C · -35°C
Siedepunkt
116 · 116-116.3 °C(lit.)
Dichte
1.378 g/mL · 1.378 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.379(lit.)
Flammpunkt
26 °C · 26 °C
storage temp.
2 · Sealed in dry,2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 4.8% (5 of 104) of reports.

Warning

H226 (94.2%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (94.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (94.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (73.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H411 (25%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 104 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 5 of 104 reports by companies.；There are 15 notifications provided by 99 of 104 reports by companies with hazard statement code(s).；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 InformationStatus: No longer Valid Update: 13-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30791；Status: Cease Manufacture Update: 27-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6135
Hazard Classes and CategoriesFlam. Liq. 3 (94.2%)；Skin Irrit. 2 (94.2%)；Eye Irrit. 2 (94.2%)；STOT SE 3 (73.1%)；Aquatic Chronic 2 (25%)

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Regulatorische Informationen

Regulatory InformationStatus: No longer Valid Update: 13-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/30791；Status: Cease Manufacture Update: 27-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6135

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29039990
risk_code
10-36/37/38
hazard_code
Xi,F

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1,3-bis(trifluoromethyl)-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden1,3-Bis(trifluoromethyl)benzene undergoes regioselective metalation and subsequent carboxylation at position 2 to give 2,6-bis(trifluoromethyl)benzoic acid. a convenient, selective synthesis of bis[2,4-bis(trifluoromethyl)phenyl]phosphane derivatives with 1,3-bis(trifluoromethyl)benzene as starting material.

Vor- und nachgelagerte Produkte

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国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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