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6-Chloropurine

6-Chloropurine structure

CAS No:
87-42-3
Formula:
C5H3ClN4
Chemical Name:
6-Chloropurine
Synonyms:
9H-Purine,6-chloro-;Purine,6-chloro-;1H-Purine,6-chloro-;6-Chloro-9H-purine;6-Chloropurine;NSC 744;6-Chloro-1H-purine;6-Chloro-7H-purine;111055-91-5;111055-92-6
Categories:
Biochemical Engineering > Nucleoside Drugs

Description

6-Chloropurine is a building block in chemical synthesis. Intermediate in the preparation of 9-alkylpurines and 6-rnercaptopurine. Antitumor activities[1].

6-Chloro-1H-purine is a member of purines.

6-Chloropurine Basic Attributes

Molecular Weight：

154.56

Exact Mass：

154.56

BRN：

5774

EC Number：

201-745-6

UNII：

OH8700156W

NSC Number：

744

HScode：

29335990

Characteristics

PSA：

54.5

XLogP3：

1.2

Appearance：

yellow-orange crystalline

Density：

1.7±0.1 g/cm3

Melting Point：

175-177 °C

Boiling Point：

185-192 °C @ Press: 2.25 Torr

Flash Point：

258.2±8.8 °C

Refractive Index：

1.740

Water Solubility：

5 g/L

Storage Conditions：

2-8°C

Toxicity：

LD50 oral in mouse: 720mg/kg

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

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

safety instructions：

26-36-36/37/39

RTECS Number：

UO7520000

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 139 companies from 5 notifications to the ECHA C&L Inventory.

Drug Information

MeSH：

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)|Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

MeSH Entry Terms：

6-chloropurine

6-Chloropurine Use and Manufacturing

Methods of Manufacturing

0 ° C, 80.5g formamidine hydrochloride (1mol) was dissolved in 200mL of ethanol, was slowly added dropwise with 100mL183.5g of 4, 5, 6-trichloropyrimidine (1mol) in ethanol, the dropwise addition was heated to 15 ~ 25 , the reaction was stirred for 12h.After the reaction was completed, the ethanol was evaporated to dryness, water was added and the mixture was extracted three times with ethyl acetate. The organic layer was dried to give 150 gOf 4-chloro-1H-pyrazolo [3, 4-d] pyrimidine was obtained in a yield of 97.1percent

Uses

Used as an intermediate for purine products

Computed Properties

Molecular Weight:154.56
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:154.0046238
Monoisotopic Mass:154.0046238
Topological Polar Surface Area:54.5
Heavy Atom Count:10
Complexity:131
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Chloropurine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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6-Chloropurine

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