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5-Bromo-2-iodopyrimidine

5-Bromo-2-iodopyrimidine structure

CAS No:
183438-24-6
Formula:
C4H2BrIN2
Chemical Name:
5-Bromo-2-iodopyrimidine
Synonyms:
5-BROMO-2-IODOPYRIMIDINE;5-Bromo-iodopyrimidine;5-Brmo-2-iodopyrimidine;5-bromo-2-iodopyrimine;2-broMo-5-iodopyriMidine;5-BroMo-2-iodopyriMidine (This product is unavailable in the U.S.);5-Bromo-2-iodo-1,3-diazine;5-BroMo-2-iodopyriMidine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

White solid

5-Bromo-2-iodopyrimidine Basic Attributes

Molecular Weight：

284.88

Exact Mass：

283.844574

EC Number：

1312995-182-4

DSSTox ID：

DTXSID90426513

HScode：

29309090

Characteristics

PSA：

25.8

XLogP3：

1.6

Appearance：

White to tan Crystalline Powder

Density：

2.495±0.06 g/cm3(Predicted)

Melting Point：

99-103 °C(lit.)

Boiling Point：

341.0±34.0 °C(Predicted)

Flash Point：

160.0±25.7 °C

Refractive Index：

1.678

Vapor Pressure：

0.000164mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, LIGHT SENSITIVE

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/38-36/37/38

safety instructions：

26-37/39-37

Marks：

Xn,Xi

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H302-H315-H318

GHS Classification：

|Danger|H302 (82.35%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 51 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

5-Bromo-2-iodopyrimidine Use and Manufacturing

Preparation of 5-Bromo-2-iodo-pyrimidine Preparation of Compound A8:To a solution of compound A7 (50 g, 0.26 mol) in DCM (300 mL) was added NaI (80 g, 0.52 mol) at room temperature, then HI (75 g, 0.52 mol) was added. After stirred at 50° C. for 5 h, the mixture was poured into ice water and carefully neutralized by addition of solid sodium bicarbonate until mixture became colorless. Then the mixture was extracted with DCM (2.x.200 mL). The organic layer was dried over NaExample A7 A8 A9 A10 [0412] Preparation of compound A8: To a solution of compound A7 (50 g, 0.26 mol) in DCM (300 mL) was added Nal (80 g, 0.52 mol) at room temperature, then HI (75 g, 0.52 mol) was added. After stirred at 50°C for 5h, the mixture was poured into ice water and carefully neutralized by addition of solid sodium bicarbonate until mixture became colorless. Then the mixture was extracted with DCM (2 x 200 mL). The organic layer was dried over Na

Computed Properties

Molecular Weight:284.88
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Exact Mass:283.84461
Monoisotopic Mass:283.84461
Topological Polar Surface Area:25.8
Heavy Atom Count:8
Complexity:72.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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