5-Methyl-4-nitrothiophene-2-carboxylic acid
Grundinformationen
- CAS
36050-35-8- Standard-SMILES
Cc1sc(C(=O)O)cc1[N+](=O)[O-]- InChIKey
HUDBBNDAVUUGEF-UHFFFAOYSA-N- Summenformel
- C6H5NO4S
- Durchschnittliche Molmasse
- 187,18 g/mol
- Monoisotopische Masse
- 186,99392881
Namen und Bezeichner
- Bevorzugter Name
- 5-Methyl-4-nitrothiophene-2-carboxylic acid
- IUPAC
- 5-methyl-4-nitrothiophene-2-carboxylic acid
- Englischer Name
- 2-Methyl-3-nitrothiophene-5-carboxylic Acid
- Summenformel
- C6H5NO4S
- Molmasse
- 187.17
Namen und Synonyme
36050-35-85-methyl-4-nitrothiophene-2-carboxylic acidDTXSID30389350RefChem:304183DTXCID00340211864-897-82-METHYL-3-NITROTHIOPHENE-5-CARBOXYLIC ACIDMFCD005070245-Methyl-4-nitro-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 5-methyl-4-nitro-2-Methyl-3-nitrothiophene-5-carboxylicAcid5-methyl-4-nitro-2-thiophenecarboxylic acid
Weitere Namen anzeigen
SCHEMBL1242736HUDBBNDAVUUGEF-UHFFFAOYSA-NLBA05035AKOS000664075AS-32438SY005273DB-0134915-methyl-4-nitrothiophene 2-carboxylic acid
Datenbank-Bezeichner
- CAS
36050-35-8- PubChem CID
- 3110784
- DTXSID
DTXSID30389350- EC Number
- 864-897-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 111 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 214
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 · 180-181 °C
- Siedepunkt
- 368.4 · 368.4±42.0 °C(Predicted)
- Dichte
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.01 · 3.01±0.10(Predicted)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
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)
Aggregated GHS information provided per 2 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
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