Grundinformationen
- CAS
3913-23-3- Standard-SMILES
COc1ccc([N+](=O)[O-])cc1CBr- InChIKey
JRHMPHMGOGMNDU-UHFFFAOYSA-N- Summenformel
- C8H8BrNO3
- Durchschnittliche Molmasse
- 246,06 g/mol
- Monoisotopische Masse
- 244,96876
Namen und Bezeichner
- Bevorzugter Name
- 2-(Bromomethyl)-1-methoxy-4-nitrobenzene
- IUPAC
- 2-(bromomethyl)-1-methoxy-4-nitrobenzene
- Lokaler Name
- 2-(Brommethyl)-4-nitroanisol
- Englischer Name
- 2-Methoxy-5-nitrobenzyl bromide
- Summenformel
- C8H8BrNO3
- Molmasse
- 246.06
Namen und Synonyme
2-(Bromomethyl)-1-methoxy-4-nitrobenzene3913-23-32-Methoxy-5-nitrobenzyl bromideDTXSID60192379RefChem:87860DTXCID20114870223-471-62-Bromomethyl-4-nitroanisoleKoshland's reagent IIKoshland Reagent No. 22-(Bromomethyl)-4-nitroanisoleBenzene, 2-(bromomethyl)-1-methoxy-4-nitro-
Weitere Namen anzeigen
MNBBKOSHLAND IIKOSHLANDREAGENTIIkoshlandreagentno.2Koshland II reagent2-(bromomethyl)-4-nitro-anisol2-Methoxy-5-nitrobenzyl bromide 97%
Anisole, 2-(bromomethyl)-4-nitro-MFCD000073292-Methoxy-5-nitrobenzylbromideEINECS 223-471-6BRN 1878596Koshland reagent 2Toluene, alpha-bromo-2-methoxy-6-nitro-Koshland reagent number 2
Datenbank-Bezeichner
- CAS
3913-23-3- PubChem CID
- 77516
- DTXSID
DTXSID60192379- EC Number
- 223-471-6
- Nikkaji
- J8.262G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 55,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 183
Physikochemische Eigenschaften
- Schmelzpunkt
- 76 · 76-78 °C(lit.)
- Siedepunkt
- 348.7 · 348.7±27.0 °C(Predicted)
- Dichte
- 1.589 · 1.589±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- InChI=1S/C8H8BrNO3/c1-13-8-3-2-7(10(11)12)4-6(8)5-9/h2-4H,5H2,1H3
- InChIKey
- JRHMPHMGOGMNDU-UHFFFAOYSA-N
- SMILES
- C1(OC)=CC=C([N+]([O-])=O)C=C1CBr
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.；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
Regulatory InformationBenzene, 2-(bromomethyl)-1-methoxy-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Regulatorische Informationen
Regulatory InformationBenzene, 2-(bromomethyl)-1-methoxy-4-nitro-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 19-21
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- RTECS-Nr.
- XS7966500
- risk_code
- 34
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden2-Methoxy-5-nitrobenzyl bromide was used to modify tryptophan residues of mouse interferon to enhance their activity. It was also used as reagent for sulfhydryl modification.
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