3-Fluoro-4-nitrobenzonitrile

HCID 2783399CAS 218632-01-0

Grundinformationen

Standard-SMILES
N#Cc1ccc([N+](=O)[O-])c(F)c1
InChIKey
OZXCOGPRBUSXLE-UHFFFAOYSA-N
Summenformel
C7H3FN2O2
Durchschnittliche Molmasse
166,11 g/mol
Monoisotopische Masse
166,0178555

Namen und Bezeichner

Bevorzugter Name
3-Fluoro-4-nitrobenzonitrile
IUPAC
3-fluoro-4-nitrobenzonitrile
Englischer Name
3-Fluoro-4-nitrobenzonitrile
Summenformel
C7H3FN2O2
Molmasse
166.11

Namen und Synonyme

3-Fluoro-4-nitrobenzonitrile218632-01-0DTXSID20382638RefChem:279449DTXCID00333663691-808-8Benzonitrile, 3-fluoro-4-nitro-3-fluoro-4-nitro-benzonitrile4-Cyano-2-fluoro-1-nitrobenzeneMFCD049734173-Fluoro 4-nitrobenzonitrileAKOS005255213
Weitere Namen anzeigen
3-FLUORO-4-NITROBENZONITRIE4-Cyano-2-fluoronitrobenzene3-Fluoro-4-nitrobenzonitrile 99%
3-fluoro-4-nitrobenzenecarbonitrileFT-0600895L9KY4L6VCESCHEMBL3941723-Fluoro-4-Nitro BenzonitrileSCHEMBL29717198ALBB-0378743-Fluoro-4-nitrobenZonitrile, 95%

Datenbank-Bezeichner

CAS
218632-01-0
PubChem CID
2783399
DTXSID
DTXSID20382638
UNII
L9KY4L6VCE
EC Number
691-808-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
69,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
0
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
72 · 72-73°C
Siedepunkt
316.4 · 316.4±27.0 °C(Predicted)
Dichte
1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
InChI
InChI=1S/C7H3FN2O2/c8-6-3-5(4-9)1-2-7(6)10(11)12/h1-3H
InChIKey
OZXCOGPRBUSXLE-UHFFFAOYSA-N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation];H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (50%): 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+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 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 (25%);Acute Tox. 4 (25%);Skin Corr. 1B (50%);Skin Irrit. 2 (50%);Eye Dam. 1 (25%);Eye Irrit. 2 (50%);Acute Tox. 4 (25%);STOT SE 3 (50%)

Sicherheitsdaten

hs_code
2926907090
risk_code
34
hazard_code
Xi,C
safety_code
26-36/37/39-45
hazard_class
IRRITANT

Chemie und Industrie

Anwendungen

Verwenden3-Fluoro-4-nitrobenzonitrile (cas# 218632-01-0) is a used in preparation of substituted benzimidazole derivatives as GLP-1r modulating compounds.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

常州帝通化工有限公司+86-0519-88298848 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
上海策嵘生物科技有限公司[email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

Zugehörige Reaktionen

27

Verknüpfte Notizen

Wird geladen…