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5-Chloro-2-nitropyridine

5-Chloro-2-nitropyridine structure

CAS No:
52092-47-4
Formula:
C5H3ClN2O2
Chemical Name:
5-Chloro-2-nitropyridine
Synonyms:
5-CHLORO-2-NITROPYRIDINE;3-Chloro-6-nitropyridine;5-CHLORO-2-NITROPYRIDINE/2-NITRO-5-CHLOROPYRIDINE;6-nitro-3-chloropyridine
Categories:
Pharmaceutical Intermediates > Antineoplastics

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5-Chloro-2-nitropyridine Basic Attributes

Molecular Weight：

158.54

Exact Mass：

157.988312

EC Number：

1592732-453-0

NSC Number：

90388

DSSTox ID：

DTXSID90293525

HScode：

2933399090

Characteristics

PSA：

58.7

XLogP3：

1.6

Density：

1.5±0.1 g/cm3

Melting Point：

119-123℃

Boiling Point：

292.3°C at 760 mmHg

Flash Point：

120.3±21.8 °C

Refractive Index：

1.587

Safety Information

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38-50-41-22

safety instructions：

26-36/37/39-36-61-37/39

Marks：

Xi,N,Xn

Hazard note：

Irritant

Precautionary statement(s)：

P261-P273-P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318-H335-H400

GHS Classification：

|Danger|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Chloro-2-nitropyridine Use and Manufacturing

After conc. sulfuric acid (50 ml) was cooled with ice, 30percent aqueous solution of hydrogen peroxide (25 ml) was dropped thereto stirring, and then conc. sulfuric acid (50 ml) solution of 2-amino-5-chloropyridine (5.0 g, 38.9 mmol) was dropped thereto further and stirred for 48 hours at the room temperature. The reaction mixture was added into ice and filtered. The residue was recrystallized with ethanol to obtain 4.38 g (yield 71percent) of 5-chloro-2-nitoropyriine as a colorless powdery crystal.Triethylamine (361.25 mg, 3.57 mmol, 494.86 muL) was added into the compound 32-B (200.00 mg, 1.19 mmol) and Add (3.17 g, 20 mmol), 1, 3-dimethyl-5-hydroxypyrazole (2.24 g, 20 mmol), Potassium carbonate (4.14g, 30mmol) was dissolved in 50mL of DMF solution under nitrogen protection.Heated to 100 C for 12 hours, The reaction was cooled to room temperature, and 100 mL of ice water was added.Stir, extract with ethyl acetate, and wash with saturated brine, Dried, separated on a silica gel column, The target compound was obtained (brown oil, 3.32 g, yield: 71%).Add

Computed Properties

Molecular Weight:158.54
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Exact Mass:157.9883050
Monoisotopic Mass:157.9883050
Topological Polar Surface Area:58.7
Heavy Atom Count:10
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 52092-47-4

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