CAS 134209-74-8 5-Formyl-3-methyl-1H-pyrrole-2-carboxylic acid (HCID 15694078)

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 134209-74-8
Standard-SMILES: Cc1cc(C=O)[nH]c1C(=O)O
InChIKey: HAECHZMQFYEKKN-UHFFFAOYSA-N
Summenformel: C7H7NO3
Durchschnittliche Molmasse: 153,14 g/mol
Monoisotopische Masse: 153,04259309

Namen und Bezeichner

Bevorzugter Name: 5-Formyl-3-methyl-1H-pyrrole-2-carboxylic acid
IUPAC: 5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid
Englischer Name: 1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl- (9CI)
Summenformel: C7H7NO3
Molmasse: 153.14

Namen und Synonyme

5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid134209-74-8DTXSID30576965RefChem:303247DTXCID90527736868-706-91H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl- (9CI)MFCD13174820SCHEMBL4470824HAECHZMQFYEKKN-UHFFFAOYSA-NJFA20974SB63523

Weitere Namen anzeigen

1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl-

DA-37342SY455334CS-04449855-formyl-3-methyl-1H-pyrrole-2-carboxylicacidEN300-194440Z1255462742

Datenbank-Bezeichner

CAS: 134209-74-8
PubChem CID: 15694078
DTXSID: DTXSID30576965
EC Number: 868-706-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 70,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 181

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.