3-Bromoisonicotinic acid
Synonym(s):3-Bromoisonicotinic acid
- CAS NO.：13959-02-9
- Empirical Formula: C6H4BrNO2
- Molecular Weight: 202.01
- MDL number: MFCD00040944
- EINECS: 675-789-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-11 17:44:06
What is 3-Bromoisonicotinic acid?
Chemical properties
Crystal structure of 3-bromoisonicotinic acid (C6H4BrNO2): triclinic, Pˉ1 (no. 2), a = 7.2512(6) ?, b = 7.3916(6) ?, c = 7.4920(7) ?, α = 65.065(4)°, β = 68.858(4)°, γ = 64.919(4)°, V = 321.60(5) ?3 , Z = 2, Rgt(F) = 0.0369, wRref(F 2 ) = 0.1017, T = 150(2) K.
The Uses of 3-Bromoisonicotinic acid
3-Bromoisonicotinic acid, as the most important intermediate in isonicotinic acid derivatives, is mainly used in the manufacture of anti-tuberculosis drugs, but also in the synthesis of amides, hydrazides, esters and other derivatives.
Properties of 3-Bromoisonicotinic acid
| Melting point: | 237-238 |
| Boiling point: | 403.1±30.0 °C(Predicted) |
| Density | 1.813±0.06 g/cm3(Predicted) |
| Flash point: | 197. |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| pka | 0.60±0.10(Predicted) |
| color | Off-white |
| CAS DataBase Reference | 13959-02-9(CAS DataBase Reference) |
Safety information for 3-Bromoisonicotinic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-Bromoisonicotinic acid
| InChIKey | AVXWWBFBRTXBRM-UHFFFAOYSA-N |
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