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Basic Information
| CAS No.: | 55715-03-2 |
|---|---|
| Name: | 4-Bromomethyl-3-nitrobenzoic acid |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6BrNO4 |
| Molecular Weight: | 260.044 |
| Synonyms: | 4-(Bromomethyl)-3-nitrobenzoic acid;3-Nitro-4-(bromomethyl)benzoicacid; |
| Density: | 1.815 g/cm3 |
| Melting Point: | 127-130 °C(lit.) |
| Boiling Point: | 392.576 °C at 760 mmHg |
| Flash Point: | 191.223 °C |
| Solubility: | Soluble in DMF and dichloromethane. Insoluble in water. |
| Appearance: | pale yellow to pink crystalline powder |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45-25 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 83.12000 |
| LogP: | 2.71110 |
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4-Bromomethyl-3-nitrobenzoic acid
Chemistry
Molecular Formula: C8H6BrNO4
Molecular Weight: 259.9503
Freezing/Melting Point: 127 - 130 deg C
Physical State: Solid
Color: yellow
Molecular Weight: 259.9503
Freezing/Melting Point: 127 - 130 deg C
Physical State: Solid
Color: yellow
Uses
4-(BROMOMETHYL)-3-NITROBENZOIC ACID is used as organic reagents, pharmaceutical intermediates.
Toxicity Data With Reference
Acute toxicity:
Primary irritant effect:
on the skin:
Corrosive effect on skin and mucous membranes.
Irritating effect.
Lachrymatory effect.
Sensitization: No sensitizing effects known.
Subacute to chronic toxicity:
Corrosive materials are acutely destructive to the respiratory tract, eyes, skin and digestive tract. Eye contact may result in permanent damage and complete vision loss. Inhalation may result in respiratory effects such as inflammation, edema, and chemical pneumoitis. May cause coughing, wheezing, laryngities, shortness of breath, headache, nausea and vomiting. Ingestion may cause damage to the mouth, throat and esophagus. May cause skin burns or irritation depending on the severity of the exposure.
Primary irritant effect:
on the skin:
Corrosive effect on skin and mucous membranes.
Irritating effect.
Lachrymatory effect.
Sensitization: No sensitizing effects known.
Subacute to chronic toxicity:
Corrosive materials are acutely destructive to the respiratory tract, eyes, skin and digestive tract. Eye contact may result in permanent damage and complete vision loss. Inhalation may result in respiratory effects such as inflammation, edema, and chemical pneumoitis. May cause coughing, wheezing, laryngities, shortness of breath, headache, nausea and vomiting. Ingestion may cause damage to the mouth, throat and esophagus. May cause skin burns or irritation depending on the severity of the exposure.
Safety Profile
Hazard Symbols: C
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
WGK (WATER Danger/Protection)
Risk Phrases:
R 34 Causes burns.
Safety Phrases:
S 25 Avoid contact with eyes.
S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).
WGK (WATER Danger/Protection)
Standards and Recommendations
ASSAY OF 4-(BROMOMETHYL)-3-NITROBENZOIC ACID: 97%
Analytical Methods
For analytical separations an Abimed (D-Langenfeld) HPLC system is used consisting of 2 pump units 306, a dynamic mixing chamber module 811C, a manometric pressure module 805, an UV-Detector UV/VIS 155 and an autoinjector 234. A gradient of H2O/0.1% TFA (v/v) (eluent A) and acetonitrile/0.1% TFA (v/v) (eluent B) with a flow rate of 0.4 mL/minutes is used. UV-traces are measured at λ=214 and λ=305 nm, respectively. An analytical column GromSil120 ODS-5 ST (3 μm, 60×2 mm) manufactured by Grom (D-Herrenberg) is used. A gradient of H2O/0.1% TFA (v/v) (eluent A) and acetonitrile/0.1% TFA (v/v) (eluent B) with a flow rate of 0.6 mL/minutes is used.d) Preparative HPLC: For preparative separations an Abimed (D-Langenfeld) HPLC system 1014 is used consisting of a pump unit 322, an UV-Detector UV/VIS 151 (quadrature=305 nm) and a Gilson 215 Liquid-Handler. The separation is performed on a preparative column Purospher RP18 (5 μm, 125×25 mm) manufactured by Merck (D-Darmstadt).