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2-Amino-6-chloropurine

2-Amino-6-chloropurine structure

CAS No:
10310-21-1
Formula:
C5H4ClN5
Chemical Name:
2-Amino-6-chloropurine
Synonyms:
9H-Purin-2-amine,6-chloro-;Purine,2-amino-6-chloro-;1H-Purin-2-amine,6-chloro-;6-Chloro-9H-purin-2-amine;2-Amino-6-chloropurine;6-Chloro-2-aminopurine;6-Chloro-2-purinamine;6-Chloroguanine;6-Chloro-1H-purin-2-amine;NSC 29570;6-Chloro-7H-purin-2-ylamine;2-Amino-6-chloro-9H-purine;6-Chloro-9H-purin-2-yl-2-amine;6-Chloro-7H-purin-2-amine;28814-41-7;552331-40-5
Categories:
Pharmaceutical Intermediates > Antivirals

Description

6-chloroguanine is an organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6. It is a member of 2-aminopurines and an organochlorine compound.

2-Amino-6-chloropurine Basic Attributes

Molecular Weight：

169.57

Exact Mass：

169.57

BRN：

9626

EC Number：

233-686-7

UNII：

83V03P835E

NSC Number：

29570

DSSTox ID：

DTXSID9074432

HScode：

29339900

Characteristics

PSA：

80.5

XLogP3：

0.4

Appearance：

White to yellow Powder

Density：

1.8±0.1 g/cm3

Melting Point：

275 °C (decomp)

Boiling Point：

623.9°C at 760 mmHg

Flash Point：

144.4ºC

Refractive Index：

1.827

Water Solubility：

H2O: 1.7 g/L (20 ºC);Solubility in 1mol/L NaOH; very faint turbidity.

Storage Conditions：

Keep Cold

Vapor Pressure：

1.75E-15mmHg at 25°C

Safety Information

Hazard category：

IRRITANT, KEEP COLD

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

22-24/25-36-26

RTECS Number：

UO7502000

Marks：

Xi,Xn

Hazard note：

Irritant/Keep Cold

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P201, P202, P260, P261, P263, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P263, P264, P270, P271, P273, P280, P281, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-amino-6-chloropurine

2-Amino-6-chloropurine Use and Manufacturing

Methods of Manufacturing

Available 2, 9-diacylguanine or 2, 4, 5-triamino-6-chloropyrimidine.

Uses

Used as acyclovir intermediate

Computed Properties

Molecular Weight:169.57
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:169.0155228
Monoisotopic Mass:169.0155228
Topological Polar Surface Area:80.5
Heavy Atom Count:11
Complexity:154
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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