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2-Chloropyrimidine

2-Chloropyrimidine structure

CAS No:
1722-12-9
Formula:
C4H3ClN2
Chemical Name:
2-Chloropyrimidine
Synonyms:
Pyrimidine,2-chloro-;2-Chloropyrimidine;NSC 43544;Pyrimidin-2-yl chloride;2-Chloro-1,3-pyrimidine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

yellowish to pale orange crystals or cryst. powder

2-Chloropyrimidine Basic Attributes

Molecular Weight：

114.532

Exact Mass：

114.53

EC Number：

217-020-2

NSC Number：

43544

DSSTox ID：

DTXSID70169214

HScode：

29339900

Characteristics

PSA：

25.8

XLogP3：

0.3

Appearance：

white to light yellow crystalline powder

Density：

1.2710 (rough estimate)

Melting Point：

66-68 °C

Boiling Point：

75-76 °C

Flash Point：

98 °C

Refractive Index：

1.5320 (estimate)

Water Solubility：

Slightly soluble in water. 33.3 mg soluble in 1 mL of alcohol.

Storage Conditions：

Refrigerator

Vapor Pressure：

0.487mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

2811

wgk germany：

hazard class code：

R36/38

safety instructions：

26-37/39-36

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P301 + P312 + P330-P305 + P351 + P338

Hazard Statements：

H302-H319

GHS Classification：

|Danger|H301 (86.79%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P405, and P501|Aggregated GHS information provided by 53 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-chloropyrimidine

2-Chloropyrimidine Use and Manufacturing

2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.

Computed Properties

Molecular Weight:114.53
XLogP3:0.3
Hydrogen Bond Acceptor Count:2
Exact Mass:113.9984758
Monoisotopic Mass:113.9984758
Topological Polar Surface Area:25.8
Heavy Atom Count:7
Complexity:51.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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