Methyl 5-chloro-4-nitrothiophene-2-carboxylate

HCID 13205564

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 57800-76-7
Standard-SMILES: COC(=O)c1cc([N+](=O)[O-])c(Cl)s1
InChIKey: IJSXVHIIYIMVTM-UHFFFAOYSA-N
Summenformel: C6H4ClNO4S
Durchschnittliche Molmasse: 221,62 g/mol
Monoisotopische Masse: 220,9549565

Namen und Bezeichner

Bevorzugter Name: Methyl 5-chloro-4-nitrothiophene-2-carboxylate
IUPAC: methyl 5-chloro-4-nitrothiophene-2-carboxylate
Englischer Name: 5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
Summenformel: C6H4ClNO4S
Molmasse: 221.62

Namen und Synonyme

57800-76-7methyl 5-chloro-4-nitrothiophene-2-carboxylate5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTERMFCD082757182-Thiophenecarboxylic acid, 5-chloro-4-nitro-, methyl estermethyl 5-chloro-4-nitro-thiophene-2-carboxylateSCHEMBL424946IJSXVHIIYIMVTM-UHFFFAOYSA-NAKOS 91745SBB096196AKOS000280439CS-W022357

Weitere Namen anzeigen

Ethyl 5-chloro-4-nitrothiophene-2-carboxylate5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, 95+%

DS-9896AC-29394SY023982DB-001786Methyl 5-chloro-4-nitro-2-thiophenecarboxylateAB00997409-015-Chlor-4-nitro-2-thiophencarbonsaeureMethylesterF386231

Datenbank-Bezeichner

CAS: 57800-76-7
PubChem CID: 13205564
EC Number: 116-928-5

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 100 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 231

Physikochemische Eigenschaften

Schmelzpunkt: 83 · 83-84 °C
Siedepunkt: 349.3 · 349.3±37.0 °C(Predicted)
Dichte: 1.576 · 1.576±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C

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.