4,6-Dimethylpyrimidine-5-carboxylic acid

HCID 14922222CAS 157335-93-8

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Grundinformationen

Standard-SMILES: Cc1ncnc(C)c1C(=O)O
InChIKey: SBJRXHBKPCHGQY-UHFFFAOYSA-N
Summenformel: C7H8N2O2
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,0585775

Namen und Bezeichner

Bevorzugter Name: 4,6-Dimethylpyrimidine-5-carboxylic acid
IUPAC: 4,6-dimethylpyrimidine-5-carboxylic acid
Englischer Name: 4,6-Dimethylpyrimidine-5-carboxylic acid
Summenformel: C7H8N2O2
Molmasse: 152.15

Namen und Synonyme

4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-84,6-DIMETHYL-5-PYRIMIDINECARBOXYLIC ACIDDTXSID40565466RefChem:508153DTXCID50516242802-216-8MFCD077875455-PYRIMIDINECARBOXYLIC ACID, 4,6-DIMETHYL-4,6-dimethylpyrimidine-5-carboxylicacidSCHEMBL410293AMY7981

Weitere Namen anzeigen

5-Carboxy-4,6-dimethylpyrimidine4,6-Dimethylpyrimidine-5-carboxylicaci4,6-dimethyl 5-pyrimidine carboxylic acid5-PyriMidinecarboxylicacid, 4,6-diMethyl-4,6-DIMETHYLPYRIMIDINE-5-CARBOXYLIC ACID ,98%4,6-dimethylpyrimidine-5-carboxylic acid - [D20471]4,6-Dimethylpyrimidine-5-carboxylic acid ISO 9001：2015 REACH5-Carboxy-4,6-dimethylpyrimidine, 5-Carboxy-4,6-dimethyl-1,3-diazine

5-pyrimidinecarboxylicacid,4,6-dimethyl-(9ci)MFCD07787AC-372SBB053227AKOS012039530AB42986CS-W022062PS-5510

Datenbank-Bezeichner

CAS: 157335-93-8
PubChem CID: 14922222
DTXSID: DTXSID40565466
EC Number: 802-216-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 63,1 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Siedepunkt: 319.7 · 319.7±37.0 °C(Predicted)
Dichte: 1.257 · 1.257±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 0.78 · 0.78±0.32(Predicted)
CAS Datenbank: 157335 · 157335-93-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]；H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, 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 4 reports by companies from 4 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 (75%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2933599590

Chemie und Industrie

Anwendungen

Verwenden4,6-Dimethylpyrimidine-5-carboxylic acid is a pharmaceutical intermediate compound used in the preparation of macrocyclic broad-spectrum antibiotics.