1-Isothiocyanato-3-(trifluoromethyl)benzene

HCID 137232CAS 1840-19-3

Grundinformationen

Standard-SMILES
FC(F)(F)c1cccc(N=C=S)c1
InChIKey
GFEPANUKFYVALF-UHFFFAOYSA-N
Summenformel
C8H4F3NS
Durchschnittliche Molmasse
203,19 g/mol
Monoisotopische Masse
203,00165479

Namen und Bezeichner

Bevorzugter Name
1-Isothiocyanato-3-(trifluoromethyl)benzene
IUPAC
1-isothiocyanato-3-(trifluoromethyl)benzene
Englischer Name
3-(Trifluoromethyl)phenyl isothiocyanate
Summenformel
C8H4F3NS
Molmasse
203.19

Namen und Synonyme

3-(Trifluoromethyl)phenyl isothiocyanate1840-19-31-Isothiocyanato-3-(trifluoromethyl)benzeneGFEPANUKFYVALF-UHFFFAOYSA-DTXSID90171531RefChem:433400DTXCID5094022628-756-2InChI=1/C8H4F3NS/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-4H3-(trifluoromethyl)phenylisothiocyanateMFCD00004806Benzene, 1-isothiocyanato-3-(trifluoromethyl)-
Weitere Namen anzeigen
TIMTEC-BB SBB006553m-Trifluoromethylphenol isothiocyanate-(Trifluoromethyl)phenylisothiocyanateà,à,à-trifluoro-m-tolyl isothiocyanate3-(Trifluoromethyl)phenyl isothiocyate, 98%3-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE 98%
m-(Trifluoromethyl)phenyl isothiocyanate3-trifluoromethylphenyl isothiocyanatealpha,alpha,alpha-Trifluoro-m-tolyl isothiocyanate1-isothiocyanato-3-trifluoromethyl-benzeneHMS1786G12T2460D92601Isothiocyanic acid, .alpha.,.alpha.,.alpha.-trifluoro-m-tolyl ester

Datenbank-Bezeichner

CAS
1840-19-3
PubChem CID
137232
DTXSID
DTXSID90171531
ChEMBL
CHEMBL4758782
EC Number
628-756-2
Nikkaji
J149.586K

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,7
Polarare Oberfläche (TPSA)
44,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
1
Schwere Atome
13

Physikochemische Eigenschaften

Schmelzpunkt
206 · 206-208 °C
Siedepunkt
206 · 206-208 °C
Dichte
1.335 · 1.335
Brechungsindex
1.555 · 1.555-1.557
Flammpunkt
94 °C · 94 °C
Aggregatzustand
clear liquid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (85.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 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 (95.7%);Acute Tox. 4 (95.7%);Skin Corr. 1B (97.9%);Eye Dam. 1 (85.1%);Acute Tox. 4 (95.7%);STOT SE 3 (87.2%)

Sicherheitsdaten

wgk
WGK 3
ridadr
2810
hs_code
29309090
risk_code
36/37/38-20/21/22-36/37-34
hazard_code
Xn,Xi,T,C
hazard_note
Harmful/Irritant

Chemie und Industrie

Anwendungen

VerwendenUsed as pharamaceutical intermediate.

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

Zugehörige Reaktionen

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