2-Bromo-5-nitrobenzotrifluoride

HCID 136198CAS 367-67-9

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Grundinformationen

Standard-SMILES: O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1
InChIKey: SXEQQBBOAMHOID-UHFFFAOYSA-N
Summenformel: C7H3BrF3NO2
Durchschnittliche Molmasse: 270 g/mol
Monoisotopische Masse: 268,9299251

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-5-nitrobenzotrifluoride
IUPAC: 1-bromo-4-nitro-2-(trifluoromethyl)benzene
Englischer Name: 2-Bromo-5-nitrobenzotrifluoride
Summenformel: C7H3BrF3NO2
Molmasse: 270

Namen und Synonyme

2-Bromo-5-nitrobenzotrifluoride367-67-9DTXSID80190150RefChem:85784DTXCID90112641609-288-8SXEQQBBOAMHOID-UHFFFAOYSA-N1-bromo-4-nitro-2-(trifluoromethyl)benzeneMFCD00014707Benzene, 1-bromo-4-nitro-2-(trifluoromethyl)-Bicalutamide Impurity 172-trifluoromethyl-4-nitrobromobenzene

Weitere Namen anzeigen

2-Bromo-5-nitrobenzoAlvocidib Impurity 32LABOTEST-BB LT01143236Bicalutamide Impurity 5Bicalutamide Impurity 3Bicalutamide Impurity 10Bicalutamide Impurity 202-Bromo-5-nitrobenzotrifluorid2-broMo-5-nitrotrifluorotoluol2-Bromo-5-nitrobenzotrifluride

CS-W010102AC-15582DS-10585SY0170491-Bromo-4-nitro-2-trifluoromethyl-benzeneB36865-nitro-2-bromobenzotrifluoride4-BROMO-3-(TRIFLUOROMETHYL)NITROBENZENE

Datenbank-Bezeichner

CAS: 367-67-9
PubChem CID: 136198
DTXSID: DTXSID80190150
EC Number: 609-288-8
Nikkaji: J1.375.097A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 45,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Schmelzpunkt: 41 · 41-44 °C (lit.)
Siedepunkt: 87 · 87-88 °C/3 mmHg (lit.)
Dichte: 1.775 · 1.7750 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Green
BRN: 2460260 · 2460260
InChI: InChI=1S/C7H3BrF3NO2/c8-6-2-1-4(12(13)14)3-5(6)7(9,10)11/h1-3H
InChIKey: SXEQQBBOAMHOID-UHFFFAOYSA-N
SMILES: C1(Br)=CC=C([N+]([O-])=O)C=C1C(F)(F)F
CAS Datenbank: 367 · 367-67-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (16.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 2306
hs_code: 29049090
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 37/39-26-24/25
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Bromo-5-nitrobenzotrifluoride may be used in the preparation of:new unsymmetrical diamine monomer containing both the benzimidazole ring and trifluoromethyl group, 6,4′-diamino-2′-trifluoromethyl-2-phenylbenzimidazole2,5-bis[(4-nitro-2-trifluoromethylphenoxy)-phenyl]diphenylphosphine oxide (BNTFDPO)