CAS No.10310-21-1,6-Chloroguanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10310-21-1
Name:	6-Chloroguanine
Article Data:	27

Formula:	C₅H₄ClN₅
Molecular Weight:	169.573
Synonyms:	6-chloro-7H-purin-2-amine;6-chloro-5H-purin-2-amine;2-Amino-6-chlorpurine;1H-Purin-2-amine, 6-chloro-;6-Chloroguanine;1H-Purin-2-amine, 6-chloro- (9CI);Purine, 2-amino-6-chloro-;6-CHLORO-1H-PURIN-2-AMINE;6-Chloro-7H-purin-2-ylamine;6-Chloro-2-aminopurine;2-Amino-6-chloropurine(6-Chloroguanine);6-Chloro guanine 98%;2-Amino-6-chloropurine ( 6-Chloroguanine );2-Amino-6-chloro-9H-purine;6-chloro-9H-purin-2-amine;2-amino-6-chloro-purin;
EINECS:	233-686-7
Density:	1.77 g/cm³
Melting Point:	300 °C
Boiling Point:	623.9 °C at 760 mmHg
Flash Point:	331.1 °C
Solubility:	1.7 g/L (20 °C) in water
Appearance:	white to light yellow crystal powder
Hazard Symbols:	Xn,Xi
Risk Codes:	20/21/22-36/37/38
Safety:	22-24/25-36-26
PSA:	80.48000
LogP:	1.16970

Synthetic route

: 190962-00-6
6-chloro-2-formylaminopurine acetate

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
With water; sodium hydroxide at 20℃; for 3h;	89%

: 3056-33-5
2,9-diacetylguanine

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
With trichlorophosphate In 1,2-dichloro-ethane; PEG-2000 at 80℃; for 6.33333h;	84%

: C5H2ClN5O2

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
With methanol; hydrazine hydrate at 50℃; Reagent/catalyst; Solvent; Reflux;	81.6%

: 149948-30-1
N-(6-chloro-9H-purin-2-yl)formamide

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
With sodium hydroxide at 20 - 80℃; for 3h;	80%
With water; sodium hydrogencarbonate at 25℃; for 3h; Reagent/catalyst;	73.3%

: 2-phenylmethylamino-6-chloropurine

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
	75%

: 73-40-5
2-amino-1,9-dihydro-6H-purin-6-one

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
With trichlorophosphate In N,N-dimethyl-formamide at 0℃; for 6h; Reflux;	70%
With trichlorophosphate In ammonium hydroxide; water; N,N-dimethyl-formamide	55%
With tetraethylammonium chloride; trichlorophosphate In water; acetonitrile	42%

methyltriethylammonium chloride (TEMAC): methyltriethylammonium chloride (TEMAC)

: 73-40-5
2-amino-1,9-dihydro-6H-purin-6-one

: 7440-44-0
pyrographite

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
With trichlorophosphate In water; acetone; acetonitrile	54%

...Expand

: ammonium sulfate

: 73-40-5
2-amino-1,9-dihydro-6H-purin-6-one

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
With N-benzyl-N,N,N-triethylammonium chloride; 1,1,1,3,3,3-hexamethyl-disilazane; trichlorophosphate In N,N-dimethyl acetamide; acetonitrile
With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; 1,1,1,3,3,3-hexamethyl-disilazane; trichlorophosphate In N,N-dimethyl acetamide; acetonitrile

: N2,9-diacetylguanine

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: trichlorophosphate 2: water; sodium hydroxide View Scheme

: 97965-44-1
2-acetamido-9-acetyl-6-chloropurine

: 10310-21-1
2-Amino-6-chloropurin

Conditions

Conditions	Yield
With water; sodium hydroxide

Raw Materials

73-40-5

Downstream Products

578-76-7

961-07-9

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Specification

The IUPAC name of 2-Amino-6-chloropurine is 6-chloro-7H-purin-2-amine. With the CAS registry number 10310-21-1, it is also named as 6-Chloroguanine. The product's categories are Fine Chemical & Intermediates; Starting Raw Materials & Intermediates; Miscellaneous Biochemicals; Amines; Nucleotides and Nucleosides; Purines; Biochemistry; Nucleobases and Their Analogs; Nucleosides, Nucleotides & Related Reagents; Bases & Related Reagents; Fused Ring Systems. It is white to light yellow crystal powder which is used as intermediate of antivirotic Famciclovir and Acyclovir. What's more, this chemical can be obtained by 2,9-Diacetylguanine or 2,4,5-Triamino-6-chloropyrimidine. Additionally, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of 2-Amino-6-chloropurine can be summarized as: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.27; (4)ACD/LogD (pH 7.4): 0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33.28; (8)ACD/KOC (pH 7.4): 32.65; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.826; (13)Molar Refractivity: 41.93 cm³; (14)Molar Volume: 95.7 cm³; (15)Polarizability: 16.62×10^-24 cm³; (16)Surface Tension: 116.8 dyne/cm; (17)Enthalpy of Vaporization: 92.39 kJ/mol; (18)Vapour Pressure: 1.75E-15 mmHg at 25°C; (19)Tautomer Count: 9; (20)Exact Mass: 169.015523; (21)MonoIsotopic Mass: 169.015523; (22)Topological Polar Surface Area: 80.5; (23)Heavy Atom Count: 11; (24)Complexity: 154.

When you are using this chemical, please be cautious about it as the following:
It is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. So people should not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES:Clc1nc(nc2ncnc12)N
2. InChI:InChI=1/C5H4ClN5/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H3,7,8,9,10,11)
3. InChIKey:RYYIULNRIVUMTQ-UHFFFAOYAP