2-Methyl-5-nitrobenzonitrile
Grundinformationen
- CAS
939-83-3- Standard-SMILES
Cc1ccc([N+](=O)[O-])cc1C#N- InChIKey
XOSDYLFXPMFRGF-UHFFFAOYSA-N- Summenformel
- C8H6N2O2
- Durchschnittliche Molmasse
- 162,15 g/mol
- Monoisotopische Masse
- 162,04292744
Namen und Bezeichner
- Bevorzugter Name
- 2-Methyl-5-nitrobenzonitrile
- IUPAC
- 2-methyl-5-nitrobenzonitrile
- Englischer Name
- 2-Methyl-5-nitrobenzonitrile
- Summenformel
- C8H6N2O2
- Molmasse
- 162.15
Namen und Synonyme
2-Methyl-5-nitrobenzonitrile939-83-3Benzonitrile, 2-methyl-5-nitro-5-Nitro-ortho-tolunitrileXOSDYLFXPMFRGF-UHFFFAOYSA-DTXSID20325444RefChem:88180DTXCID00276561625-431-7InChI=1/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3XOSDYLFXPMFRGF-UHFFFAOYSA-N5-Nitro-o-tolunitrile
Weitere Namen anzeigen
AKOS BBS-000000384-Nitro-2-cyanotolueneMethyl-5-nitrobenzonitrile5-NITRO-2-METHYLBENZONITRILE2-Methyl-5-nitrobenzonitrile-98%2-Methyl-5-nitrobenzonitrile >2-methyl-5-nitro-benzenecarbonitrile
3-Cyano-4-methylnitrobenzeneMFCD000170402-methyl-5-nitro-benzonitrile2-methyl-5-nitrobenzenecarbonitrile2-Cyano-4-nitrotolueneNSC5074935-Nitro-2-methylbenzonitril6-methyl-3-nitrobenzonitrile
Datenbank-Bezeichner
- CAS
939-83-3- PubChem CID
- 350143
- DTXSID
DTXSID20325444- EC Number
- 625-431-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 69,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 225
Physikochemische Eigenschaften
- Schmelzpunkt
- 103.5 · 103.5-107.5 °C (lit.)
- Siedepunkt
- 175 °C/10mmHg · 175°C/10mmHg(lit.)
- Dichte
- 1.3264 · 1.3264 (rough estimate)
- Brechungsindex
- 1.577 · 1.5770 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- ethanol: soluble(lit.)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow
- BRN
- 1947376 · 1947376
- InChI
- 1S/C8H6N2O2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,1H3
- InChIKey
- XOSDYLFXPMFRGF-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1C#N)[N+]([O-])=O
- CAS Datenbank
- 939 · 939-83-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (11.4%): 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 (11.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (97.7%): 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 44 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 (11.4%)；Acute Tox. 4 (11.4%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (11.4%)；STOT SE 3 (97.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29269090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Harmful
Chemie und Industrie
Anwendungen
Verwenden2-Methyl-5-nitrobenzonitrile was used in the preparation of 5-(2-methyl-5-nitrophenyl)-1H-tetrazole.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter91 Anbieter
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
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