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Name	4-Amino-2-bromopyridine	EINECS	-0
CAS No.	7598-35-8	Density	1.71 g/cm³
PSA	38.91000	LogP	2.00750
Solubility	Slightly soluble in water.	Melting Point	92-96 °C
Formula	C₅H₅BrN₂	Boiling Point	321.3 °C at 760 mmHg
Molecular Weight	173.012	Flash Point	148.1 °C
Transport Information	N/A	Appearance	Light yellow crystal
Safety	26-36/37/39-36/37/38-36	Risk Codes	22-37/38-41-36/37/38-20/21/22
Molecular Structure		Hazard Symbols	Xn, Xi
Synonyms	Pyridine,4-amino-2-bromo- (6CI,7CI,8CI);2-Bromo-4-aminopyridine;2-Bromopyridin-4-amine;2-Bromopyridin-4-ylamine;NSC404690;	Article Data	13

4-Amino-2-bromopyridine Synthetic route

: 52092-43-0
2-bromo-4-nitropyridine N-oxide

: 7598-35-8
2-bromo-4-aminopyridine

Conditions

Conditions	Yield
With iron In acetic acid at 100℃;	100%
With iron In acetic acid	90%
With iron; acetic acid

: 6945-67-1
2-bromo-4-nitropyridine

: 7598-35-8
2-bromo-4-aminopyridine

Conditions

Conditions	Yield
With titanium for 0.25h;	97%

: 504-24-5
4-aminopyridine

A: 7598-35-8
2-bromo-4-aminopyridine

B: 84539-34-4
4-amino-3,5-dibromopyridine

Conditions

Conditions	Yield
With N-Bromosuccinimide In tetrachloromethane at 20℃; for 48h; Darkness;	A n/a B 55%

: 58530-53-3
2,4-dibromopyridine

A: 84249-14-9
2-amino-4-bromopyridine

B: 7598-35-8
2-bromo-4-aminopyridine

Conditions

Conditions	Yield
With ammonium hydroxide at 160℃;

: 58530-53-3
2,4-dibromopyridine

: ammonium hydroxide

A: 84249-14-9
2-amino-4-bromopyridine

B: 7598-35-8
2-bromo-4-aminopyridine

Conditions

Conditions	Yield
at 160℃;

: 109-04-6
2-bromo-pyridine

(+-)-2-<4-chloro-phenyl>-5-piperidino-valeronitrile: (+-)-2-<4-chloro-phenyl>-5-piperidino-valeronitrile

: 7598-35-8
2-bromo-4-aminopyridine

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: perbenzoic acid / CHCl3 / 72 h / Ambient temperature 2: 77 percent / 96percent H2SO4, 96percent HNO3 / 3 h / 130 °C 3: 90 percent / iron powder / acetic acid View Scheme

: 14305-17-0
2-bromopyridine-N-oxide

: 7598-35-8
2-bromo-4-aminopyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 77 percent / 96percent H2SO4, 96percent HNO3 / 3 h / 130 °C 2: 90 percent / iron powder / acetic acid View Scheme
Multi-step reaction with 2 steps 1: concentrated sulfuric acid; nitric acid 2: iron-powder; acetic acid View Scheme
Multi-step reaction with 2 steps 1: concentrated sulfuric acid; nitric acid 2: FeSO4; concentrated aqueous NH3 View Scheme

: 626-03-9
3-deazauracil

: 7598-35-8
2-bromo-4-aminopyridine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: phosphoryl bromide / 130 °C 2: aqueous NH3 / 160 °C View Scheme

: 52092-43-0
2-bromo-4-nitropyridine N-oxide

: 7439-89-6
iron

: 7598-35-8
2-bromo-4-aminopyridine

Conditions

Conditions	Yield
In acetic acid
With ammonium chloride In ethanol

: 7598-35-8
2-bromo-4-aminopyridine

: 98-80-6
phenylboronic acid

: 21203-86-1
2-phenyl-pyridin-4-ylamine

Conditions

Conditions	Yield
With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; carbon dioxide In water; acetonitrile at 70℃; under 23257.6 Torr; for 24h; Reagent/catalyst; Pressure; Suzuki Coupling; Inert atmosphere;	99%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate In 1,4-dioxane; water at 110℃; Sealed tube;	61.8%
With tetrakis(triphenylphosphine) palladium(0); sodium hydrogencarbonate In 1,2-dimethoxyethane; water Suzuki Coupling; Reflux; Inert atmosphere;	44%

4-Amino-2-bromopyridine Specification

The IUPAC name of 2-Bromo-4-aminopyridine is 2-bromopyridin-4-amine. With the CAS registry number 7598-35-8, it is also named as 4-Pyridinamine, 2-bromo-. The product's categories are pyridine; pyridines, pyrimidines, purines and pteredines; pyridine series; amines; pyridines; pyridines derivates. It is light yellow crystal which should be stored in the sealed container.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.46; (5)ACD/BCF (pH 5.5): 6.06; (6)ACD/BCF (pH 7.4): 7.52; (7)ACD/KOC (pH 5.5): 118.85; (8)ACD/KOC (pH 7.4): 147.33; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 36.27 cm³; (14)Molar Volume: 101.1 cm³; (15)Polarizability: 14.37 10^-24 cm³; (16)Surface Tension: 56.9 dyne/cm; (17)Enthalpy of Vaporization: 56.3 kJ/mol; (18)Vapour Pressure: 0.000301 mmHg at 25°C; (19)Tautomer Count: 2; (20)Exact Mass: 171.963611; (21)MonoIsotopic Mass: 171.963611; (22)Topological Polar Surface Area: 38.9; (23)Heavy Atom Count: 8; (24)Complexity: 76.8.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin, particularly risk of serious damage to the eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: c1cnc(cc1N)Br;
2. InChI: InChI=1/C5H5BrN2/c6-5-3-4(7)1-2-8-5/h1-3H,(H2,7,8).

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