| Identification | More | [Name]
3-Bromoisonicotinic acid | [CAS]
13959-02-9 | [Synonyms]
3-BROMO-4-PYRIDINECARBOXYLIC ACID
3-BROMOISONICOTINIC ACID
3-BROMOPYRIDINE-4-CARBOXYLIC ACID
IFLAB-BB F1957-0038
4-Pyridinecarboxylic acid, 3-bromo- | [EINECS(EC#)]
675-789-3 | [Molecular Formula]
C6H4BrNO2 | [MDL Number]
MFCD00040944 | [Molecular Weight]
202.01 | [MOL File]
13959-02-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
237-238 | [Boiling point ]
403.1±30.0 °C(Predicted) | [density ]
1.813±0.06 g/cm3(Predicted) | [Fp ]
197. | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
solid | [pka]
0.60±0.10(Predicted) | [color ]
Off-white | [InChIKey]
AVXWWBFBRTXBRM-UHFFFAOYSA-N | [CAS DataBase Reference]
13959-02-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2933399990 |
| Hazard Information | Back Directory | [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. | [Uses]
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. |
|
|