2-Iodbenzoylchlorid

2-Iodobenzoyl chloride

HCID 69112CAS 609-67-6

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Grundinformationen

Standard-SMILES: O=C(Cl)c1ccccc1I
InChIKey: MVIVDSWUOGNODP-UHFFFAOYSA-N
Summenformel: C7H4ClIO
Durchschnittliche Molmasse: 266,46 g/mol
Monoisotopische Masse: 265,89954043

Namen und Bezeichner

Bevorzugter Name: 2-Iodobenzoyl chloride
IUPAC: 2-iodobenzoyl chloride
Lokaler Name: 2-Iodbenzoylchlorid
Englischer Name: 2-IODOBENZOYL CHLORIDE
Summenformel: C7H4ClIO
Molmasse: 266.46

Namen und Synonyme

2-Iodobenzoyl chloride609-67-6Benzoyl chloride, 2-iodo-EINECS 210-196-1DTXSID4060573Benzoyl chloride, 2iodoRefChem:473773DTXCID5042906210-196-12-iodobenzoylchlorideo-Iodobenzoyl chlorideMFCD00001040

Weitere Namen anzeigen

SKL12152-iodo-benzoylchlorid2-IodobenzoylChloride>Benzoyl chloride, 2-iodo-2-Iodobenzoylchloride,97%2-Iodobenzoic acid chloride9-(phenylmethyl)phenanthrene2-Iodobenzoyl chloride, 98+%

iodobenzoyl chlorideo-iodobenzoylchloride2-iodobezoyl chlorideo-iodo-benzoylchloride2-iodobenzoic chloride2-iodo-benzoyl chloride2-iodo-benzoic acid chlorideSCHEMBL502454

Datenbank-Bezeichner

CAS: 609-67-6
PubChem CID: 69112
DTXSID: DTXSID4060573
EC Number: 210-196-1
Nikkaji: J96.174D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 138

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Acid Halides

Physical DescriptionOff-white solid; mp = 27-32 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 27 · 27-31 °C(lit.)
Siedepunkt: 105 · 105-106 °C1 mm Hg(lit.)
Dichte: 1.932 · 1.932
Flammpunkt: 110 °C · >110°C
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Löslichkeit: soluble in Toluene
Aggregatzustand: powder to lump
Farbe: White to Light yellow to Dark green
Wasserlöslichkeit: Reacts with water.
BRN: 2042672 · 2042672
InChI: 1S/C7H4ClIO/c8-7(10)5-3-1-2-4-6(5)9/h1-4H
InChIKey: MVIVDSWUOGNODP-UHFFFAOYSA-N
SMILES: ClC(=O)c1ccccc1I
CAS Datenbank: 609 · 609-67-6(CAS DataBase Reference)
EPA chemische Informationen: 2 · Benzoyl chloride, 2-iodo- (609-67-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information2-Iodobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryReacts with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Benzoyl chloride.

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F: 21-19
wgk: 3
tsca: TSCA listed
ridadr: UN 3261 8/PG 2
hs_code: 29163990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoyl chloride, 2-iodo-: INACTIVE

Anwendungen · 1 Eintrag

Verwenden2-Iodobenzoyl chloride has been used in palladium-catalyzed synthesis of carbomethoxy functional group-induced isoindolin-1-ones, preparation of starting materials required for the synthesis of novel cyclic derivatives of pentavalent iodine, benziodazole oxides.