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4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine structure

CAS No:
3680-69-1
Formula:
C6H4ClN3
Chemical Name:
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine
Synonyms:
7H-Pyrrolo[2,3-d]pyrimidine,4-chloro-;1H-Pyrrolo[2,3-d]pyrimidine,4-chloro-;4-Chloro-7H-pyrrolo[2,3-d]pyrimidine;4-Chloropyrrolo[2,3-d]pyrimidine;NSC 64952;6-Chloro-7-deazapurine;4-Chloro-1H-pyrrolo[2,3-d]pyrimidine
Categories:
Biochemical Engineering > Nucleoside Drugs

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Description

Lightbrown to brown crystalline powder

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Basic Attributes

Molecular Weight：

153.57

Exact Mass：

153.57

EC Number：

2017-001-1

UNII：

9VV5MK5RX3

NSC Number：

64952

DSSTox ID：

DTXSID70190280

HScode：

2933990090

Characteristics

PSA：

41.6

XLogP3：

1.6

Appearance：

White to tan Crystalline Powder

Density：

1.5±0.1 g/cm3

Melting Point：

188 °C (decomp) @ Solvent: Water

Boiling Point：

325.9°C at 760 mmHg

Flash Point：

180.7ºC

Refractive Index：

1.720

Water Solubility：

soluble in DMSO, ethyl acetate and methanol.

Storage Conditions：

Room temperature.

Safety Information

Hazard category：

IRRITANT

Transport codes：

UN28116.1/PG3

wgk germany：

hazard class code：

36/37/38-25-20/21/22

safety instructions：

26-37-45-36

RTECS Number：

UY9360000

Marks：

Xi,T,Xn

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (82.76%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 58 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine Use and Manufacturing

used in the manufacture of Tofacitinib citrate.

Computed Properties

Molecular Weight:153.57
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:153.0093748
Monoisotopic Mass:153.0093748
Topological Polar Surface Area:41.6
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Phosphorus oxychloride

Ethyl cyanoacetate

Ammonium chloride

Potassium carbonate

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Guide of 4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Learn More Other Chemicals

4-Chloro-7H-pyrrolo[2,3-d]pyrimidine

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