Methyl 4-nitro-1h-pyrrole-2-carboxylate
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Grundinformationen
- CAS
13138-74-4- Standard-SMILES
COC(=O)c1cc([N+](=O)[O-])c[nH]1- InChIKey
BRZNAATZQZPGBQ-UHFFFAOYSA-N- Summenformel
- C6H6N2O4
- Durchschnittliche Molmasse
- 170,12 g/mol
- Monoisotopische Masse
- 170,03275668
Namen und Bezeichner
- Bevorzugter Name
- Methyl 4-nitro-1h-pyrrole-2-carboxylate
- IUPAC
- methyl 4-nitro-1H-pyrrole-2-carboxylate
- Englischer Name
- methyl 4-nitro-1H-pyrrole-2-carboxylate
- Summenformel
- C6H6N2O4
- Molmasse
- 170.12
Namen und Synonyme
methyl 4-nitro-1h-pyrrole-2-carboxylate13138-74-4DTXSID00294169RefChem:1089478DTXCID502453081H-Pyrrole-2-carboxylic acid, 4-nitro-, methyl esterMFCD08753843methyl 4-nitropyrrole-2-carboxylateNSC94955methyl 4-nitro-2-pyrrolecarboxylateSCHEMBL1160193methyl-4-nitropyrrole-2-carboxylate
Weitere Namen anzeigen
Methyl4-nitropyrrole-2-carboxylate,95%2-(Methoxycarbonyl)-4-nitro-1H-pyrroleMethyl 4-nitro-1H-pyrrol-2-carboxylate4-Nitropyrrole-2-carboxylicAcidMethylEsteCannabidiol Impurity 7 (Cannabinolic acid)4-Nitropyrrole-2-carboxylic Acid Methyl Ester4-nitro-1H-pyrrole-2-carboxylic acid methyl estermethyl 4-nitro-1H-pyrrole-2-carboxylate - [M82298]
AKOS002666522KD-0219CS-0061831NSC-94955SBB088361SB62458methyl4-nitro-1h-pyrrole-2-carboxylateSY128253
Datenbank-Bezeichner
- CAS
13138-74-4- PubChem CID
- 261887
- DTXSID
DTXSID00294169- EC Number
- 691-932-2
- Nikkaji
- J1.264.874J
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 87,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 200
Physikochemische Eigenschaften
- Schmelzpunkt
- 192 · 192-193°
- Siedepunkt
- 342.2 · 342.2±22.0 °C(Predicted)
- Dichte
- 1.447 · 1.447±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 12.12 · 12.12±0.50(Predicted)
Sicherheit und Regulatorisches
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GHS-Klassifizierung
GHS Classification
Warning
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 1 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.
Sicherheitsdaten
- hs_code
- 2934999090
- hazard_class
- IRRITANT
Chemie und Industrie
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