3,5-Diiodobenzoic acid
Grundinformationen
- CAS
19094-48-5- Standard-SMILES
O=C(O)c1cc(I)cc(I)c1- InChIKey
FHTJRJBWLBXVPO-UHFFFAOYSA-N- Summenformel
- C7H4I2O2
- Durchschnittliche Molmasse
- 373,91 g/mol
- Monoisotopische Masse
- 373,83007
Namen und Bezeichner
- Bevorzugter Name
- 3,5-Diiodobenzoic acid
- IUPAC
- 3,5-diiodobenzoic acid
- Englischer Name
- 3,5-Diiodobenzoic acid
- Summenformel
- C7H4I2O2
- Molmasse
- 373.91
Namen und Synonyme
3,5-Diiodobenzoic acid19094-48-5Benzoic acid, 3,5-diiodo-3,5-DiiodobenzoateS85HM69TS8NSC 149429BRN 1940697NSC-1494293-09-00-01454 (Beilstein Handbook Reference)DTXSID30172603RefChem:91554DTXCID5095094
Weitere Namen anzeigen
1,3-Diiodobenzoicacid3,5-diiodo-benzoicacitetrahydro-3-oxo-2-thiophenecarboxylicaci
630-298-33,5-Diiodo-benzoic acidMFCD004638603,5-DiiodobenzoicacidNSC149429UNII-S85HM69TS8SCHEMBL422824SCHEMBL6162283
Datenbank-Bezeichner
- CAS
19094-48-5- PubChem CID
- 98577
- DTXSID
DTXSID30172603- UNII
- S85HM69TS8
- EC Number
- 630-298-3
- Nikkaji
- J1.160.179K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 151
Physikochemische Eigenschaften
- Schmelzpunkt
- 230 °C · >230°C
- Siedepunkt
- 424.2 · 424.2±35.0 °C(Predicted)
- Dichte
- 2.559 · 2.559±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.5 · 3.50±0.10(Predicted)
- CAS Datenbank
- 19094 · 19094-48-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (33.3%): Harmful if swallowed [Warning 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+P317, 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 3 reports by companies from 3 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 (33.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2916399090
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,intravenous,180mg/kg (180mg/kg),Journal of Organic Chemistry. Vol. 22, Pg. 1686, 1957.
- hazard_code
- Xi
- safety_code
- 26-36/37/39
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter79 Anbieter
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.
Zugehörige Reaktionen
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Notizen zur Verbindung
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