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2,4,5-Tribromoimidazole

2,4,5-Tribromoimidazole structure

CAS No:
2034-22-2
Formula:
C3HBr3N2
Chemical Name:
2,4,5-Tribromoimidazole
Synonyms:
1H-Imidazole,2,4,5-tribromo-;Imidazole,2,4,5-tribromo-;2,4,5-Tribromo-1H-imidazole;2,4,5-Tribromoimidazole;NSC 514965
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

BEIGE-YELLOW POWDER

2,4,5-Tribromoimidazole Basic Attributes

Molecular Weight：

304.767

Exact Mass：

304.77

EC Number：

217-997-5

UNII：

50V0252S9A

NSC Number：

514965

DSSTox ID：

DTXSID2022173

HScode：

29332990

Characteristics

PSA：

28.7

XLogP3：

Appearance：

BEIGE-YELLOW POWDER

Density：

2.8±0.1 g/cm3

Melting Point：

218 °C (decomp)

Boiling Point：

272.2°C at 760 mmHg

Flash Point：

196.5±29.6 °C

Refractive Index：

1.690

Storage Conditions：

Refrigerator (+4ºC)

Vapor Pressure：

0.00617mmHg at 25°C

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

R23/24/25;R36/37/38

safety instructions：

S22-S26-S36/37/39-S45

RTECS Number：

NI8660000

Marks：

T:Toxic;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P264-P280-P301 + P310-P305 + P351 + P338-P311

Hazard Statements：

H300-H311 + H331-H315-H319-H335

GHS Classification：

|Danger|H300 (95.65%): Fatal if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,4,5-tribromoimidazole

2,4,5-Tribromoimidazole Use and Manufacturing

To the three-necked flask was added imidazole (29.24 g, 0.43 mol)Sodium acetate (317.34 g, 3.87 mol)And acetic acid (150 ml), Was dissolved in acetic acid (100 ml) of bromine (65 ml, 1.28 mol)Through the constant pressure separation funnel at room temperature slowly dripping, Control the temperature does not exceed 40 , stirring at room temperature for 3h, The reaction solution was poured into 1.5 L of water, the solid was precipitated, The solid was washed with water, Dried to give compound 5 (120 g, yield 92percent),

Computed Properties

Molecular Weight:304.77
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:303.76694
Monoisotopic Mass:301.76899
Topological Polar Surface Area:28.7
Heavy Atom Count:8
Complexity:88.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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