2-Hydroxy-4-nitrobenzonitrile

HCID 286148CAS 39835-14-8

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Grundinformationen

Standard-SMILES: N#Cc1ccc([N+](=O)[O-])cc1O
InChIKey: DZNPHVPBCNZVGW-UHFFFAOYSA-N
Summenformel: C7H4N2O3
Durchschnittliche Molmasse: 164,12 g/mol
Monoisotopische Masse: 164,02219199

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxy-4-nitrobenzonitrile
IUPAC: 2-hydroxy-4-nitrobenzonitrile
Englischer Name: 2-HYDROXY-4-NITROBENZONITRILE
Summenformel: C7H4N2O3
Molmasse: 164.12

Namen und Synonyme

2-hydroxy-4-nitrobenzonitrile39835-14-82-Cyano-5-nitrophenolMFCD022588752-Hydroxy-4-nitro-benzonitrile39035-14-8Benzonitrile, 2-hydroxy-4-nitro-NSC1439814-nitro-2-hydroxybenzonitrileSCHEMBL361541DTXSID70960400DZNPHVPBCNZVGW-UHFFFAOYSA-N

Weitere Namen anzeigen

2-HYDROXY-4-NITROBENZONITRILE 98%JRH-04201, 2-Hydroxy-4-nitrobenzonitrile, 97%

CL9070AKOS006223876FH70360NSC 143981NSC-143981AC-26136AS-46196SY238455

Datenbank-Bezeichner

CAS: 39835-14-8
PubChem CID: 286148
DTXSID: DTXSID70960400
EC Number: 672-564-1
Nikkaji: J484.054B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 89,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 227

Physikochemische Eigenschaften

Schmelzpunkt: 160 · 160-161°C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
InChI: 1S/C7H4N2O3/c8-4-5-1-2-6(9(11)12)3-7(5)10/h1-3,10H
InChIKey: DZNPHVPBCNZVGW-UHFFFAOYSA-N
SMILES: OC1=C(C#N)C=CC([N+]([O-])=O)=C1
CAS Datenbank: 39835 · 39835-14-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): 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 2 reports by companies from 2 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.