ChemicalBook > CAS DataBase List > 8-Chlorotheophylline

8-Chlorotheophylline

Product Name
8-Chlorotheophylline
CAS No.
85-18-7
Chemical Name
8-Chlorotheophylline
Synonyms
NSC 6113;Theoclate;AKOS BBS-00006435;8-Chlorothephyline;chlorotheophylline;8-Chlorotheophyline;8-CHLOROTHEOPHYLLINE;8-chloro-theophyllin;LABOTEST-BB LT00138074;Theophylline, 8-chloro-
CBNumber
CB1401343
Molecular Formula
C7H7ClN4O2
Formula Weight
214.61
MOL File
85-18-7.mol
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8-Chlorotheophylline Property

Melting point:
290 °C (dec.)(lit.)
Boiling point:
455.0±55.0 °C(Predicted)
Density 
1.8869 (rough estimate)
refractive index 
1.5560 (estimate)
storage temp. 
Inert atmosphere,2-8°C
solubility 
Soluble in sodium hydroxide.
pka
pKa 5.28 (Uncertain)
form 
Solid
color 
White to Off-White
Water Solubility 
SLIGHTLY SOLUBLE
BRN 
203068
InChI
InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChIKey
RYIGNEOBDRVTHA-UHFFFAOYSA-N
SMILES
N1C2=C(N(C)C(=O)N(C)C2=O)NC=1Cl
CAS DataBase Reference
85-18-7(CAS DataBase Reference)
NIST Chemistry Reference
1H-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-(85-18-7)
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Safety

Hazard Codes 
Xn
Risk Statements 
20/21/22-36/37/38-22
Safety Statements 
36-37/39-26
RIDADR 
2811
WGK Germany 
3
RTECS 
XH5063000
HazardClass 
6.1(b)
PackingGroup 
III
HS Code 
29395900
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P330Rinse mouth.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
PHR3073
Product name
Pamabrom Related Compound A
Purity
pharmaceutical secondary standard, certified reference material
Packaging
50mg
Price
$412.3
Updated
2025/07/31
Sigma-Aldrich
Product number
1121038
Product name
8-Chlorotheophylline
Purity
United States Pharmacopeia (USP) Reference Standard
Packaging
200mg
Price
$538
Updated
2025/07/31
TCI Chemical
Product number
C0293
Product name
8-Chlorotheophylline
Purity
>98.0%(HPLC)(T)
Packaging
25g
Price
$25
Updated
2025/07/31
TCI Chemical
Product number
C0293
Product name
8-Chlorotheophylline
Purity
>98.0%(HPLC)(T)
Packaging
250g
Price
$114
Updated
2025/07/31
Usbiological
Product number
006720
Product name
8-Chlorotheophylline
Packaging
1g
Price
$403
Updated
2021/12/16
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8-Chlorotheophylline Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powder

Uses

8-Chlorotheophylline is a stimulant drug. It can be used as a binding agent to form stable salts of pharmaceutical drugs.

Definition

ChEBI: 1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine.

Purification Methods

It crystallises from H2O or EtOH (m 304o, dec). The choline salt crystallises from H2O with m 60-62o (2 H2O) and m 97-99o (anhydrous). [Beilstein 26 H 473, II 276, 26 III/IV 2442.]

8-Chlorotheophylline Preparation Products And Raw materials

Raw materials

Caffeine Iodine

Preparation Products

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8-Chlorotheophylline Suppliers

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View Lastest Price from 8-Chlorotheophylline manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
8-Chlorotheophylline 85-18-7
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-18
Hebei Fengqiang Trading Co., LTD
Product
8-Chlorotheophylline 85-18-7
Price
US $100.00/bag
Min. Order
1bag
Purity
99
Supply Ability
5000
Release date
2023-08-15
Career Henan Chemical Co
Product
8-Chlorotheophylline 85-18-7
Price
US $1.00/kg
Min. Order
1kg
Purity
95%-99%
Supply Ability
as request
Release date
2018-12-24

85-18-7, 8-ChlorotheophyllineRelated Search:

Diprophylline Dimethicone Poly(dimethylsiloxane) Aminophylline CHLORODIMETHYLVINYLSILANE Dimethyl ether DIMETHYLTHEXYLSILYL CHLORIDE Dimethyl sulfoxide Dimethyl phthalate Dimethyl sebacate Dimethyl fumarate ETHANE Chlorodimethylphenylsilane tert-Butyldimethylsilyl chloride Dimethyl carbonate Doxofylline N,N-Dimethylformamide N,N-Dimethylacetamide

  • H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-
  • 1,3-Dimethyl-8-chloro-9H-purine-2,6(1H,3H)-dione
  • 8-Chloro-1,2,3,6-tetrahydro-1,3-dimethyl-7H-purine-2,6-dione
  • 8-Chlorotheophylline,99%
  • 8-chloro-3,9-dihydro-1,3-diMethyl-1H-Purine-2,6-dione
  • NSC 6113
  • 8-chloro-1,3-diMethyl-1H-purine-2,6(3H,7H)-dione
  • 8-CHLOROTHEOPHYLLINE
  • 8-CHLORO-1,3-DIMETHYL-2,6(1H,3H)-PURINEDIONE
  • 8-CHLORO-1,3-DIMETHYL-2,6-PURINEDIONE
  • 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
  • 8-CHLORO-1,3-DIMETHYLXANTHINE
  • AKOS BBS-00006435
  • LABOTEST-BB LT00138074
  • 1,3-Dimethyl-8-chloroxanthine
  • 8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione
  • 8-chloro-3,7-dihydro-1,3-dimethyl-1h-purine-6-dione
  • 8-chloro-theophyllin
  • Theophylline, 8-chloro-
  • 8-Chlorothephyline
  • Theoclate
  • chlorotheophylline
  • 8-Chloro-1,3-dimethyl-7H-purine-2,6-dione
  • 8-Chlorotheophylline &gt
  • 1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-1,3-dimethyl-
  • Pamabrom Related Compound A
  • Pamabrom USP Related Compound A
  • 8-Chlorotheophyline
  • 8-Chlorotheophylline (200 mg)
  • 8-Chlorotheophylline, ≥ 98.0%
  • 85-18-7
  • C7H7ClN4O2
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  • Purines
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  • Halogenated Heterocycles
  • Heterocyclic Building Blocks
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