CAS 305-53-3 Sodium Iodoacetate (HCID 5239)

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Grundinformationen

CAS: 305-53-3
Standard-SMILES: O=C([O-])CI.[Na+]
InChIKey: AGDSCTQQXMDDCV-UHFFFAOYSA-M
Summenformel: C2H2INaO2
Durchschnittliche Molmasse: 207,93 g/mol
Monoisotopische Masse: 207,89972158

Überblick

Sodium iodoacetate is an organic molecular entity.

Namen und Bezeichner

Bevorzugter Name: Sodium Iodoacetate
IUPAC: sodium 2-iodoacetate
Lokaler Name: Natriumiodacetat
Englischer Name: Iodoacetic acid sodium salt
Summenformel: C2H2INaO2
Molmasse: 207.93

Namen und Synonyme

sodium iodoacetate305-53-3Iodoacetic acid sodium saltSodium monoiodoacetateACETIC ACID, IODO-, SODIUM SALTIodoacetate, sodium salt07814F2QRIDTXSID0059790monosodium iodoacetateRefChem:183943DTXCID5038208206-165-7

Weitere Namen anzeigen

usafek-6279meet standardSODIUM IODACETATESodiumIodoacetate,>98%iodoacetate,sodiumsaltiodoacetate, sodium sal2-iodoacetate(305-53-3)

sodium 2-iodoacetateIodoacetic acid, sodium saltsodium;2-iodoacetateAcetic acid, 2-iodo-, sodium salt (1:1)MFCD00002686iodoacetate (Sodium)sodium,2-iodoacetateCCRIS 9232

Datenbank-Bezeichner

CAS: 305-53-3
PubChem CID: 5239
DTXSID: DTXSID0059790
ChEBI: CHEBI:234594
UNII

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 6
Formalladung: 0
Komplexität: 46,8

Experimentelle und physikochemische Eigenschaften

Chemical ClassesMetals -> Organic Acids, Metal Salts

Physical DescriptionLight yellow hygroscopic powder; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 208 °C · 208 °C (dec.)(lit.)
storage temp.: -20 °C · -20°C
Löslichkeit: 0.1 M · methanol: 0.1 M at 20 °C, clear, colorless
Aggregatzustand: Powder
Farbe: Light yellow to yellow-brown
Biologische Quelle: synthetic (organic)
Wasserlöslichkeit: 100 mg/mL · water: 100mg/mL
BRN: 4009322 · 4009322
InChI: InChI=1S/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
InChIKey: AGDSCTQQXMDDCV-UHFFFAOYSA-M
SMILES: C([O-])(=O)CI.[Na+]

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Acetic acid, iodo-, sodium salt

Acetic acid, iodo-, sodium salt: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant that may cause serious eye injury; Toxic by ingestion; [Sigma-Aldrich MSDS] See Iodoacetic acid.

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

F: 3-8-10
wgk: 3
tsca: TSCA listed
ridadr: UN 2811 6.1/PG 1
hs_code: 29159000
RTECS-Nr.: AI3675000
risk_code: 25-37/38-41-20/21/22-36/37/38
hazard_code: T,Xn
safety_code: 26-39-45-36-36/37/39-22
hazard_class: 6.1(b)
packing_group: III

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Verwendung und Herstellung

UsesIodoacetic acid and its salts and derivatives. Iodoacetic acid reacts with cysteine (-SH) groups to form a carboxymethylated protein and is used as an enzyme inhibitor in biochemical research. [ChemIDplus]

General Manufacturing InformationAcetic acid, 2-iodo-, sodium salt (1:1): ACTIVE