Cas no 87-42-3 (6-Chloropurine)

6-Chloropurine is an intermediate compound used in the synthesis of various pharmaceuticals and research chemicals. Its key advantages include high purity (>98%), excellent stability under standard conditions, and versatility in forming diverse chemical bonds. It serves as a crucial building block for further chemical transformations.
6-Chloropurine structure
6-Chloropurine structure
Product Name:6-Chloropurine
CAS No:87-42-3
MF:C5H3ClN4
MW:154.557118654251
MDL:MFCD00075825
CID:34418
PubChem ID:87565432
Update Time:2025-11-27

6-Chloropurine Chemical and Physical Properties

Names and Identifiers

    • 6-Chloropurine
    • 6-CP
    • 6-chloro-7H-purine
    • 6-Chloro-9H-purine
    • CHLOROPURINE, 6-(RG)
    • 1H-6-chloropurine
    • 1H-Purine,6-chloro
    • 5-chloropurine
    • 6-chloro-1H-purine
    • 6-Chlorpurine
    • chloropurine,6
    • Purine,6-chloro
    • 1H-Purine, 6-chloro-
    • Purine, 6-chloro-
    • 6-Chloropurin-9-yl
    • SK 6048
    • 6-chloropurin
    • X 47
    • ZKBQDFAWXLTYKS-UHFFFAOYSA-N
    • OH8700156W
    • ClP
    • 6-Chloropurine, crystalline
    • 6-chloro purine
    • 6-chloro-purine
    • 3kqo
    • ES4
    • 6-chlor-7H-purin
    • zlchem 207
    • PubChem9679
    • 6-Chloropuri
    • KSC448A4D
    • CHEMB
    • BP-10522
    • STK501251
    • Z295458158
    • CCRIS 3908
    • LS-190758
    • LS-126498
    • HY-Y0247
    • US9144538, 6-Chloropurine
    • UNII-OH8700156W
    • C5H3ClN4
    • PD088415
    • 6-chlorpurin
    • 6-Chloropurine, >=99%
    • AM20110246
    • J-514884
    • SY004779
    • s4801
    • WLN: T56 BM DN FN HNJ IG
    • US9138393, 6-Chloropurine
    • W-104024
    • 6-CHLOROPURINE [MI]
    • 6-Chloro-9H-purine;6-chloro-7H-purine
    • SCHEMBL9081
    • AKOS000267571
    • 6-Chloropurine, >=95.0% (HPLC)
    • AB02899
    • EINECS 201-745-6
    • CCG-266258
    • F0001-2162
    • 111055-92-6
    • NSC 744
    • CHEMBL140037
    • AKOS005259271
    • 6-Chloropurine-13C2,15N
    • AI3-26401
    • FT-0601457
    • BDBM181123
    • MFCD00075825
    • SCHEMBL21121896
    • DTXSID00861673
    • CS-W008651
    • EN300-30395
    • InChI=1/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
    • AC-3252
    • AG-670/31548001
    • C5-H3-Cl-N4
    • ZKBQDFAWXLTYKS-UHFFFAOYSA-
    • Q27285654
    • 87-42-3
    • PS-3424
    • NSC744
    • 133762-83-1
    • CHEBI:177625
    • NSC-744
    • BCP27820
    • STR05267
    • 6-Chloropurine, 99%
    • 1H-Purine, 6-chloro- (9CI)
    • 6-Chloro-9H-purine (ACI)
    • Purine, 6-chloro- (8CI)
    • 6-Chloropurine,99%
    • 6-CP; 6-chloro-5H-purine
    • ALBB-006044
    • DB-007147
    • NS00041124
    • MDL： MFCD00075825
    • Inchi： 1S/C5H3ClN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
    • InChI Key： ZKBQDFAWXLTYKS-UHFFFAOYSA-N
    • SMILES： ClC1C2=C(N=CN2)N=CN=1
    • BRN： 5774

Computed Properties

  • Exact Mass: 154.00500
  • Monoisotopic Mass: 154.004624
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 131
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 54.5
  • Surface Charge: 0
  • Tautomer Count: 4

Experimental Properties

  • Color/Form: Pale yellow crystals
  • Density: 1.4649 (rough estimate)
  • Melting Point: >300?°C (dec.) (lit.)
  • Boiling Point: 254.17°C (rough estimate)
  • Flash Point: 256.9oC at 760 mmHg
  • Refractive Index: 1.8430 (estimate)
  • Solubility: 5 g/L
  • Water Partition Coefficient: 5 g/L
  • PSA: 54.46000
  • LogP: 1.00630
  • Merck: 2161
  • Solubility: Soluble in water, ether and dimethylformamide.

6-Chloropurine Security Information

  • Symbol: GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H302
  • Warning Statement： P264-P270-P301+P312+P330-P501
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22
  • Safety Instruction： S26-S36-S36/37/39
  • FLUKA BRAND F CODES：10-23
  • RTECS：UO7520000
  • Hazardous Material Identification： Xn
  • HazardClass：IRRITANT
  • Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
  • Risk Phrases：R22; R36/37/38

6-Chloropurine Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

6-Chloropurine Pricemore >>

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6-Chloropurine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Triphosgene Catalysts: 4-(Dimethylamino)pyridine Solvents: Thionyl chloride ;  reflux; > 1 h, reflux
1.2 Reagents: Water ;  0 °C
1.3 Reagents: Sodium carbonate Solvents: Water ;  pH 8 - 9
Reference
Efficient Phosphorus-Free Chlorination of Hydroxy Aza-Arenes and Their Application in One-Pot Pharmaceutical Synthesis
Wang, Jian ; et al, Organic Process Research & Development, 2020, 24(2), 146-153

Production Method 2

Reaction Conditions
1.1 Reagents: N,N-Dimethylaniline ,  Phosphorus oxychloride ;  20 - 30 min, rt
1.2 rt → 80 °C; 80 °C → 95 °C; 10 - 15 min, 120 - 125 °C; 125 °C → 15 °C
1.3 Reagents: Hydrochloric acid Solvents: Ethanol ;  > 30 °C
1.4 Solvents: Water ;  < 25 °C
1.5 Reagents: Ammonia Solvents: Water ;  15 - 20 min, pH 10 - 10.5, 10 - 15 °C
1.6 Reagents: Hydrochloric acid Solvents: Water ;  pH 1 - 1.5, 10 - 15 °C
Reference
Reactions of Adenine and Its N-Exo Substituted Analogues with Phenyl Glycidyl Ether
Neporozhneva, O. V.; et al, Russian Journal of General Chemistry, 2020, 90(12), 2248-2254

Production Method 3

Reaction Conditions
1.1 Catalysts: Dimethylformamide Solvents: 1,2-Dichloroethane ,  Chlorobenzene ;  0 - 5 °C; 0.5 h, 0 - 5 °C
1.2 4 h, 0 - 5 °C; 0.5 h, rt; rt → reflux; 3 h, reflux
Reference
Method for synthesis of 6-chloropurine from bis(trichloromethyl) carbonate and hypoxanthine
, China, , ,

Production Method 4

Reaction Conditions
1.1 Catalysts: Triethyl phosphite ,  (T-4)-Dichlorobis(2-propanolato)titanium
Reference
Triethyl Phosphite
Piscopio, Anthony D.; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, ,

Production Method 5

Reaction Conditions
1.1 Reagents: Acetic anhydride Solvents: Acetic anhydride
Reference
Synthesis of potential anticancer agents. I. Chloropurines
Montgomery, John A., Journal of the American Chemical Society, 1956, 78, 1928-30

Production Method 6

Reaction Conditions
1.1 Reagents: Trimethylsilyl triflate Solvents: Chloroform-d ;  5 h, 50 °C
Reference
A One-Pot Synthesis of Highly Functionalized Purines
Zelli, Renaud; et al, Organic Letters, 2017, 19(23), 6360-6363

Production Method 7

Reaction Conditions
Reference
Product class 17: purines
Seela, F.; et al, Science of Synthesis, 2004, 16, 945-1108

Production Method 8

Reaction Conditions
Reference
Product class 17: purines
Seela, F.; et al, Science of Synthesis, 2004, 16, 945-1108

Production Method 9

Reaction Conditions
1.1 25 h, 0 °C
1.2 Reagents: Phosphorus oxychloride Solvents: Dimethylformamide ;  2 h, 25 °C
1.3 Reagents: Sodium bicarbonate Solvents: Water
2.1 Reagents: Trimethylsilyl triflate Solvents: Chloroform-d ;  5 h, 50 °C
Reference
A One-Pot Synthesis of Highly Functionalized Purines
Zelli, Renaud; et al, Organic Letters, 2017, 19(23), 6360-6363

Production Method 10

Reaction Conditions
1.1 Reagents: Triethylamine ,  Phosphorus oxychloride ;  rt → 105 °C; 5 h, 105 °C
Reference
A novel method for preparation of 6-chloropurine from acetyl hypoxanthine
Zhang, Junjie; et al, Jingxi Huagong Zhongjianti, 2012, 42(1), 40-42

Production Method 11

Reaction Conditions
1.1 Reagents: Triethyl phosphite Catalysts: (T-4)-Dichlorobis(2-propanolato)titanium
Reference
Triethyl phosphite
Piscopio, Anthony D.; et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2005, 1, 1-8

Production Method 12

Reaction Conditions
Reference
Product class 17: purines
Seela, F.; et al, Science of Synthesis, 2004, 16, 945-1108

Production Method 13

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride Solvents: Dimethylformamide ;  12 h, 80 °C; 0 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water ;  neutralized
Reference
Structure-metabolism relationships in human-AOX: Chemical insights from a large database of aza-aromatic and amide compounds.
Lepri, Susan ; et al, Proceedings of the National Academy of Sciences of the United States of America, 2017, 114(16),

Production Method 14

Reaction Conditions
Reference
6-Chloropurine
, Japan, , ,

Production Method 15

Reaction Conditions
Reference
4-Benzoylpyrazole derivatives
, Federal Republic of Germany, , ,

Production Method 16

Reaction Conditions
Reference
Product class 17: purines
Seela, F.; et al, Science of Synthesis, 2004, 16, 945-1108

6-Chloropurine Raw materials

6-Chloropurine Preparation Products

6-Chloropurine Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
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(CAS:87-42-3)6-Chloropurine
Order Number:LE16794;LE1635851;LE6029
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:15
Price ($):discuss personally
Xiamen PinR Bio-tech Co., Ltd.
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(CAS:87-42-3)6-Chloropurine
Order Number:PR092
Stock Status:in stock
Quantity:1kg
Purity:97%
Pricing Information Last Updated:Monday, 28 April 2025 16:48
Price ($):discuss personally
Zibo Yurui Biotechnology
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(CAS:87-42-3)6-Chloropurine
Order Number:LE100
Stock Status:in Stock
Quantity:10G;1KG
Purity:99%
Pricing Information Last Updated:Monday, 1 June 2026 10:43
Price ($):inquiry
Suzhou Senfeida Chemical Co., Ltd
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(CAS:87-42-3)6-Chloropurine
Order Number:sfd4039;1635851
Stock Status:in Stock
Quantity:200kg/Company Customization
Purity:99.9%/98%
Pricing Information Last Updated:Friday, 19 July 2024 14:33
Price ($):discuss personally
Amadis Chemical Company Limited
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Audited Supplier Audited Supplier
(CAS:87-42-3)6-Chloropurine
Order Number:A947480
Stock Status:in Stock
Quantity:1kg
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:58
Price ($):176.0
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:87-42-3)6-Chloropurine
Order Number:LY0060
Stock Status:in Stock
Quantity:1KG
Purity:98%standard
Pricing Information Last Updated:Wednesday, 30 July 2025 14:20
Price ($):Inquiry

6-Chloropurine Spectrogram

13C NMR
13C NMR
GC-MS
GC-MS
1H NMR 300 MHz DMSO
1H NMR

6-Chloropurine Related Literature

Related Categories

87-42-3 (6-Chloropurine) Related Products

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:87-42-3)6-Chloropurine
LE16794;LE1635851;LE6029
Purity:99%/99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry/Inquiry
Email
Xiamen PinR Bio-tech Co., Ltd.
(CAS:87-42-3)6-Chloropurine
PR092
Purity:97%
Quantity:1kg
Price ($):Inquiry
Email