Methyl 2-(bromomethyl)-3-nitrobenzoate (HCID 1487795)

Namen und Bezeichner

Bevorzugter Name: Methyl 2-(bromomethyl)-3-nitrobenzoate
IUPAC: methyl 2-(bromomethyl)-3-nitrobenzoate
Englischer Name: Methyl 2-bromomethyl-3-nitrobenzoate
Summenformel: C9H8BrNO4
Molmasse: 274.07

Namen und Synonyme

98475-07-1Methyl 2-(bromomethyl)-3-nitrobenzoateBENZOIC ACID, 2-(BROMOMETHYL)-3-NITRO-, METHYL ESTERDTXSID90363373RefChem:813644DTXCID30314420619-354-8Methyl 2-bromomethyl-3-nitrobenzoate2-(Bromomethyl)-3-nitrobenzoic acid methyl esterMFCD04114315methyl 2-bromomethyl-3-nitro-benzoateMETHYL 2-(BROMOMETHYL)-3-NITROBENZENECARBOXYLATE

Weitere Namen anzeigen

-3-nitrobenzoateMethyl 2-bromomethylLenalidomide Impurity 332-Bromomethyl-3-Nitrobenzoate2-Bromomethyl-3-nitro-benzoic acidMethyl 2- bromomethyl-3-nitrobezoateMETHYL-2-BROMOMETHYL-3-NITROBENZONATEMethyl (2-brommethyl-3-nitro)benzoate

2-Bromomethyl-3-nitro benzoic acid methyl esterLenalidomide Impurity 462-bromomethyl-3-nitro-benzoic acid methyl esterAC-5512methyl 3-nitro-2-(bromomethyl)benzoateSY0786422-BROMOMETHYL-3-NITROBENZOIC ACID METHYL ESTERBenzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester (9CI, ACI); Methyl 2-(bromomethyl)-3-nitrobenzoate

Datenbank-Bezeichner

CAS: 98475-07-1
PubChem CID: 1487795
DTXSID: DTXSID90363373
EC Number: 619-354-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 72,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 253

Physikochemische Eigenschaften

Schmelzpunkt: 72 · 72-74°
Siedepunkt: 370.9 · 370.9±32.0 °C(Predicted)
Dichte: 1.624 · 1.624±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: Solid
Farbe: White to Light yellow
InChI: InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3
InChIKey: FCGIVHSBEKGQMZ-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=CC([N+]([O-])=O)=C1CBr

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H290 (25%): May be corrosive to metals [Warning Corrosive to Metals]

P203, P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesMet. Corr. 1 (25%)

Sicherheitsdaten

ridadr: UN 3261 8/PG III
hs_code: 2916310090
hazard_class: 8
packing_group: III

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungMethyl 2-bromomethyl-3-nitrobenzoate is a white or light yellow solid under normal temperature and pressure. It is insoluble in water but soluble in alcoholic organic solvents. It is an organic ester derivative that can be used as an organic synthesis intermediate and a raw material for pharmaceutical chemical synthesis. It is a crucial synthesis intermediate for the drug molecule lenalidomide. Lenalidomide is an antineoplastic drug. The ester group and benzyl bromide unit in the Methyl 2-bromomethyl-3-nitrobenzoate structure are easily convertible functional groups. Its structure contains a strong electron-attracting nitro group and an easily leaving bromine atom. The nitro group is a strong electron-withdrawing group that can increase the reactivity of molecules through conjugation effects and electron attraction. Due to these properties, it has wide applications in organic synthesis transformations.

VerwendenMethyl 2-bromomethyl-3-nitrobenzoate is an organic ester derivative that can be used as an organic synthesis intermediate and a raw material for pharmaceutical chemical synthesis. It is a crucial synthesis intermediate for the drug molecule lenalidomide.