2-Iodbenzoesure

2-Iodobenzoic acid

HCID 6941CAS 1321-07-9
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Grundinformationen

Standard-SMILES
O=C(O)c1ccccc1I
InChIKey
CJNZAXGUTKBIHP-UHFFFAOYSA-N
Summenformel
C7H5IO2
Durchschnittliche Molmasse
248,02 g/mol
Monoisotopische Masse
247,9334274

Überblick

2-iodobenzoic acid is an iodobenzoic acid with a single iodo substituent placed at the 2-position. It is an iodobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-iodobenzoate.

Namen und Bezeichner

Bevorzugter Name
2-Iodobenzoic acid
IUPAC
2-iodobenzoic acid
Lokaler Name
2-Iodbenzoesure
Englischer Name
2-Iodobenzoic acid
Summenformel
C7H5IO2
Molmasse
248.02

Namen und Synonyme

2-IODOBENZOIC ACID88-67-5o-Iodobenzoic acidBenzoic acid, 2-iodo-7Q00V80J7QNSC-3772DTXSID6058976CHEBI:287979OISBo-iodobenzoic-(125)I acid2-iodobenzoic-(125)I acidRefChem:473771
Weitere Namen anzeigen
2-IODO BENZONIC ACIDNSC 3772usafek-572'LGC' (4009)O-iodine acidIodobenzoicAcid2-lodhenxoieacid
DTXCID6048624201-850-7Iodobenzoic acidBenzoic acid, o-iodo-USAF EK-572MFCD00002419Kyselina o-jodbenzoovao-Jod-benzoesaeure

Datenbank-Bezeichner

CAS
1321-07-9、88-67-5
PubChem CID
6941
DTXSID
DTXSID6058976
ChEMBL
CHEMBL112424
ChEBI
CHEBI:287979
UNII
7Q00V80J7Q
EC Number
201-850-7、695-036-2
Nikkaji
J38.418F

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
SpringerMaterials PropertiesCrystal structure
LogP2.45
Vapor Pressure0.000198 [mmHg]
Physical DescriptionWhite solid; [Merck Index] Light brown powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
160 · 160-162 °C(lit.)
Siedepunkt
313.9 · 313.9±25.0 °C(Predicted)
Dichte
2.25 · 2.25
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
Soluble in dimethyl sulfoxide and methanol
pka
2.85 · 2.85(at 25℃)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302 (99.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 123 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzoic acid, 2-iodo-

Status: No longer Valid Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24645

Benzoic acid, 2-iodo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; Harmful by ingestion; Targets the thyroid; [Sigma-Aldrich MSDS] See Benzoic acid.
Hazard Classes and CategoriesAcute Tox. 4 (99.2%)

Sicherheitsdaten

wgk
3
tsca
TSCA listed
hs_code
29163900
RTECS-Nr.
DH2975000
risk_code
22-37/38-41-36/37/38-20/21/22
hazard_code
Xn,Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzoic acid, 2-iodo-: ACTIVE
Anwendungen · 2 Einträge

Beschreibung2-iodobenzoic acid and its derivatives are important pharmaceutical and chemical raw materials, which are necessary for the synthesis of various high-iodine reagents. It is commonly used as a precursor for the synthesis of 2-Iodoxybenzoic acid (IBX) and Dess-Martin peridinane, which are used as mild oxidants. It is also used in Suziki reaction.

VerwendenReagent for detection of sulfhydryl groups in proteins. 2-Iodobenzoic acid acts as a precursor in the preparation of 2-Iodoxybenzoic acid (IBX) and Dess-Martin periodinane, which finds application as an oxidizing agent in synthetic chemistry. It is also used in Suzuki reaction.

Darstellung · 1 Eintrag

synthetische2-Iodobenzoic acid is obtained from Anthranilic acid by diazotization and substitution. Diazotization of Anthranilic acid with sodium nitrite in the presence of sulfuric acid, control the temperature below 10℃, filter the diazotization solution, add the mixture of potassium iodide and sulfuric acid, stir for 10min after addition, and boil. Filter, wash with sodium thiosulfate solution, 2-Iodobenzoic acid can be recrystallized from water.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
南京精维化工有限公司13270709979 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: An iodobenzoic acid with a single iodo substituent placed at the 2-position.

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