3-(Hydroxymethyl)-4-nitrophenol
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Grundinformationen
- CAS
60463-12-9- Standard-SMILES
O=[N+]([O-])c1ccc(O)cc1CO- InChIKey
ODWVFIWBWJXDMT-UHFFFAOYSA-N- Summenformel
- C7H7NO4
- Durchschnittliche Molmasse
- 169,13 g/mol
- Monoisotopische Masse
- 169,0375077
Namen und Bezeichner
- Bevorzugter Name
- 3-(Hydroxymethyl)-4-nitrophenol
- IUPAC
- 3-(hydroxymethyl)-4-nitrophenol
- Englischer Name
- 5-Hydroxy-2-nitrobenzyl alcohol
- Summenformel
- C7H7NO4
- Molmasse
- 169.13
Namen und Synonyme
3-(hydroxymethyl)-4-nitrophenol60463-12-9DTXSID10975871RefChem:495286DTXCID801403263627-563-05-Hydroxy-2-nitrobenzyl alcohol(5-Hydroxy-2-nitrophenyl)methanolBenzenemethanol, 5-hydroxy-2-nitro-MFCD001343083-Hydroxymethyl-4-nitrophenol5-Hydroxy-2-nitrobenzylalcohol
Weitere Namen anzeigen
RARECHEM AL BD 06792-Nitro-5-hydroxybenzyl alcohol5-Hydroxy-2-nitrobenzenemethanol2-Nitro-5-hydroxybenzenemethanolBenzenemethanol,5-hydroxy-2-nitro-5-Hydroxy-2-nitrobenzyl alcohol 97%5-HYDROXY-2-NITROBENZYL ALCOHOL ISO 9001：2015 REACH
3-(hydroxymethyl)-4-nitro-phenol3-hydroxymethyl-4-nitro-phenolSCHEMBL1589671SCHEMBL13858882SCHEMBL29901077ODWVFIWBWJXDMT-UHFFFAOYSA-NKCA46312AKOS015912421
Datenbank-Bezeichner
- CAS
60463-12-9- PubChem CID
- 108946
- DTXSID
DTXSID10975871- EC Number
- 627-563-0
- Nikkaji
- J385.144C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,2
- Polarare Oberfläche (TPSA)
- 86,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 167
Physikochemische Eigenschaften
- Schmelzpunkt
- 111 · 111-115 °C (lit.)
- Siedepunkt
- 398.6 · 398.6±32.0 °C(Predicted)
- Dichte
- 1.489 · 1.489±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.99 · 6.99±0.10(Predicted)
- InChI
- 1S/C7H7NO4/c9-4-5-3-6(10)1-2-7(5)8(11)12/h1-3,9-10H,4H2
- InChIKey
- ODWVFIWBWJXDMT-UHFFFAOYSA-N
- SMILES
- OCc1cc(O)ccc1[N+]([O-])=O
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
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 40 reports by companies from 3 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden5-Hydroxy-2-nitrobenzyl alcohol may be used in the synthesis of 5-(2′-(dimethylamino)ethoxy)-2-nitrobenzyl alcohol. It may be used as difunctional photo-responsive initiator in the synthesis of thermo-responsive and photo-cleavable amphiphilic block copolymers containing photodegradable linkers as junction points between hydrophilic and hydrophobic chains.
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