4-(Trifluoromethyl)phenyl isothiocyanate

HCID 137134CAS 1645-65-4

Grundinformationen

Standard-SMILES
FC(F)(F)c1ccc(N=C=S)cc1
InChIKey
DQEVDFQAYLIBRD-UHFFFAOYSA-N
Summenformel
C8H4F3NS
Durchschnittliche Molmasse
203,19 g/mol
Monoisotopische Masse
203,00165479

Namen und Bezeichner

Bevorzugter Name
4-(Trifluoromethyl)phenyl isothiocyanate
IUPAC
1-isothiocyanato-4-(trifluoromethyl)benzene
Englischer Name
4-(Trifluoromethyl)phenyl isothiocyanate
Summenformel
C8H4F3NS
Molmasse
203.19

Namen und Synonyme

4-(Trifluoromethyl)phenyl isothiocyanate1645-65-4DTXSID30167771RefChem:517167DTXCID9090262627-484-11-isothiocyanato-4-(trifluoromethyl)benzenebenzene, 1-isothiocyanato-4-(trifluoromethyl)-4-(trifluoromethyl)phenylisothiocyanatep-TrifluoromethylphenylisothiocyanateMFCD000396454-trifluoromethylphenyl isothiocyanate
Weitere Namen anzeigen
4-(Trifluoromethyl)p4-(TRIFLUOROMETHYL)BENZENE ISOCYANATE4-(Trifluoromethyl)phenyl thiocyanateà,à,à-trifluoro-p-tolyl isothiocyanate4-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYATEp-Trifluoromethylphenyl isothiocyanateα,α,α-Trifluoro-p-tolyl isothiocyanate4-(Trifluoromethyl)phenyl isothiocyanate 97%
1-isothiocyanato-4-trifluoromethyl-benzene4-(trifluoromethyl)benzenisothiocyanatealpha,alpha,alpha-Trifluoro-p-tolyl IsothiocyanateIsothiocyanic Acid 4-(Trifluoromethyl)phenyl Ester4-trifluoromethylphenylisothiocyanateSCHEMBL456863SBB0643314-trifluoromethyl-phenyl isothiocyanate

Datenbank-Bezeichner

CAS
1645-65-4
PubChem CID
137134
DTXSID
DTXSID30167771
EC Number
627-484-1
Nikkaji
J813.327A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,4
Polarare Oberfläche (TPSA)
44,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
1
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
39 · 39-43 °C(lit.)
Siedepunkt
81 °C11 · 81 °C11 mm Hg(lit.)
Dichte
1.3395 · 1.3395 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
2 · 2-8°C, stored under nitrogen
Aggregatzustand
powder to lump

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation];H334 (85.4%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]

P233, P260, P261, P264, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P342+P316, P362+P364, P363, P403, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 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

Hazard Classes and CategoriesAcute Tox. 4 (12.5%);Acute Tox. 4 (12.5%);Skin Corr. 1B (97.9%);Acute Tox. 4 (12.5%);Resp. Sens. 1 (85.4%)

Sicherheitsdaten

wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29309090
risk_code
34-42-36/37/38-20/21/22
hazard_code
C,Xi,T,Xn
hazard_note
Harmful/Irritant

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-(Trifluoromethyl)phenyl isothiocyanate may be used in the synthesis of 6-[1-amino-3-(4-trifluoromethylphenyl)-thiourea]-2-ethylbenzo[de]isoquinoline-1,3-dione. It may also be used in the synthesis of photoinduced electron transfer (PET) sensors.

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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海策嵘生物科技有限公司[email protected]

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