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2,4-Diamino-6-chloropyrimidine

2,4-Diamino-6-chloropyrimidine structure

CAS No:
156-83-2
Formula:
C4H5ClN4
Chemical Name:
2,4-Diamino-6-chloropyrimidine
Synonyms:
2,4-Pyrimidinediamine,6-chloro-;Pyrimidine,2,4-diamino-6-chloro-;6-Chloro-2,4-pyrimidinediamine;2,4-Diamino-6-chloropyrimidine;2,6-Diamino-4-chloropyrimidine;4-Chloro-2,6-diaminopyrimidine;6-Chloro-2,4-diaminopyrimidine;NSC 8818;6-Chloropyrimidine-2,4-diamine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

6-chloro-2,4-pyrimidinediamine is a member of pyrimidines and an organohalogen compound.

2,4-Diamino-6-chloropyrimidine Basic Attributes

Molecular Weight：

144.56200

Exact Mass：

144.56

EC Number：

205-863-9

UNII：

83NU5F7ZAS

NSC Number：

8818

DSSTox ID：

DTXSID30166022

HScode：

29335995

Characteristics

PSA：

77.82000

XLogP3：

0.5

Appearance：

White Cyrstalline Solid

Density：

1.564 g/cm3

Melting Point：

200-201 °C

Boiling Point：

199-202ºC

Flash Point：

218.9ºC

Refractive Index：

1.702

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from

Vapor Pressure：

7.01E-08mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S24/25

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

2,4-Diamino-6-chloropyrimidine Use and Manufacturing

Methods of Manufacturing

2, 4-Diamino-6-hydroxypyrimidine (1) (1.00 g, 7.93 mmol) wasadded to POCl3 (9 mL), and stirred at 97 C for 17 h. The reaction solution was added to ice waterslowly, and then stirred at 90 C for 1 h. The pH of this solution was adjusted to 8 with NaOH, and then it was extracted with EtOAC (150 mL 3). The combined organic layers were dried withNa2SO4, filtered and concentrated to give white solid 0.97 g, yield 85percent. m.p. 200.2–200.4 C; IR(KBr): max/cm-1 3449 (NH), 3327 (NH), 1642 (C=N), 1581 (C=C), 1551 (C=C), 795 (C-Cl); 1H-NMR(DMSO-d6) δ6.57 (s, 2H, NH2), 6.31 (s, 2H, NH2), 5.69 (s, 1H, Ar-H); ES-MS 145.0 (M + H)+; HRMSCalcd. for C16H20ClN4O3+ 145.0281, found 145.0276.b)

Uses

Intermediate of minoxidine.

Computed Properties

Molecular Weight:144.56
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:144.0202739
Monoisotopic Mass:144.0202739
Topological Polar Surface Area:77.8
Heavy Atom Count:9
Complexity:98.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphorus oxychloride

Methyl cyanoacetate

Ammonia

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Guide of 2,4-Diamino-6-chloropyrimidine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Latest News
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2,4-Diamino-6-chloropyrimidine

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