4-Fluoro-2-iodobenzoic acid

HCID 12520164CAS 56096-89-0

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Grundinformationen

Standard-SMILES: O=C(O)c1ccc(F)cc1I
InChIKey: DUKFTVLJAXWGPI-UHFFFAOYSA-N
Summenformel: C7H4FIO2
Durchschnittliche Molmasse: 266,01 g/mol
Monoisotopische Masse: 265,92401

Namen und Bezeichner

Bevorzugter Name: 4-Fluoro-2-iodobenzoic acid
IUPAC: 4-fluoro-2-iodobenzoic acid
Englischer Name: 4-FLUORO-2-IODOBENZOIC ACID
Summenformel: C7H4FIO2
Molmasse: 266.01

Namen und Synonyme

4-fluoro-2-iodobenzoic acid56096-89-0DTXSID70501170RefChem:292772DTXCID30451980624-102-52-Iodo-4-fluorobenzoic acidMFCD041082784-Fluoro-2-iodo-benzoic acid4-Fluoro-2-IodobenzoicacidBenzoic acid, 4-fluoroiodo-Benzoic acid,4-fluoro-2-iodo-

Weitere Namen anzeigen

BUTTPARK 83\07-334-Fluoro-2-iodobenzoicacid99%4-Fluoro-2-iodobenzoic acid 99%4-FLUORO-2-IODOBENZOIC ACID ISO 9001：2015 REACH

SCHEMBL1588995DUKFTVLJAXWGPI-UHFFFAOYSA-N4-Fluoro-2-iodobenzoic acid, 97%CK1080SBB063560AKOS000140853AC-3965CS-W014051

Datenbank-Bezeichner

CAS: 56096-89-0
PubChem CID: 12520164
DTXSID: DTXSID70501170
EC Number: 624-102-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 143 · 143-147 °C
Siedepunkt: 309.4 · 309.4±27.0 °C(Predicted)
Dichte: 2.074 · 2.074±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
Löslichkeit: Ethyl Acetate (Slightly), Methanol (Slightly)
pka: 2.8 · 2.80±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White
InChI: 1S/C7H4FIO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey: DUKFTVLJAXWGPI-UHFFFAOYSA-N
SMILES: OC(=O)c1ccc(F)cc1I
CAS Datenbank: 56096 · 56096-89-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, 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 42 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. 3 (97.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29163990
risk_code: 25-36/37/38
hazard_code: Xi,T
hazard_note: Irritant
safety_code: 26-36/37-45
hazard_class: 6.1
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3