8-Chlorotheophyline

Suppliers

Names

[ CAS No. ]:
85-18-7

[ Name ]:
8-Chlorotheophyline

[Synonym ]:
8-chloro-1,3-dimethyl-7H-purine-2,6-dione
8-Chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
MFCD00005581
8-Chlorotheophylline
8-chloro-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
CHLORTHEOPHYLLINE
EINECS 201-590-4
UNII-GE2UA340FM

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
455.0±55.0 °C at 760 mmHg

[ Melting Point ]:
290 °C (dec.)(lit.)

[ Molecular Formula ]:
C₇H₇ClN₄O₂

[ Molecular Weight ]:
214.609

[ Flash Point ]:
229.0±31.5 °C

[ Exact Mass ]:
214.025757

[ PSA ]:
72.68000

[ LogP ]:
-0.42

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.631

[ Storage condition ]:
Refrigerator

[ Water Solubility ]:
SLIGHTLY SOLUBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5063000

CHEMICAL NAME :: Theophylline, 8-chloro-

CAS REGISTRY NUMBER :: 85-18-7

LAST UPDATED :: 199206

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C7-H7-Cl-N4-O2

MOLECULAR WEIGHT :: 214.63

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 440 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: APPNAH Acta Physiologica et Pharmacologica Neerlandica. (Amsterdam, Netherlands) V.1-15, 1950-69. For publisher information, see EJPHAZ. Volume(issue)/page/year: 2,63,1951

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 270 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: APPNAH Acta Physiologica et Pharmacologica Neerlandica. (Amsterdam, Netherlands) V.1-15, 1950-69. For publisher information, see EJPHAZ. Volume(issue)/page/year: 2,63,1951

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S36-S37/39-S26

[ RIDADR ]:
2811

[ WGK Germany ]:
3

[ RTECS ]:
XH5063000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1(b)

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

Theophylline
1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione
Pyridinium,1-(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-, inner salt
1,3-Dimethyluric acid
Hydrochloric acid

DownStream

Theophylline
4-[7-(2-Butynyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester
N-Boc-piperazine
1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3-dimethyl-7-[(4-nitrophenyl)methyl]
8-[2-(Diphenylmethoxy)-N-Methylethylamino]-1,3-dimethylxanthine
1,3-dimethyl-6,7-dihydropurin-2-one
2-Propanol,1-chloro-3-(2-propen-1-yloxy)
7-((allyloxy)methyl)-1,3-dimethyl-6,7-dihydrooxazolo[2,3-f]purine-2,4(1H,3H)-dione
1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl
1,3,7-trimethyl-8-phenylpurine-2,6-dione

Customs

[ HS Code ]: 2933990090

[ 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%

Related Compounds

2-Chloro-6-[3-[2-[1-(trimethylsilyl)cyclopropyl]ethoxy]-1H-pyrazol-1-yl]-3-pyridinecarboxylic acid
3-(Dimethyl(3,3,3-trifluoropropyl)silyl)-1H-pyrazole
3-(3-pyridinyl)-3-Piperidinamine
5-Bromo-6-isopentylpyridin-2-amine
1-Piperidinecarboxylic acid,3-(bromomethyl)-3-methyl-,1,1-dimethylethyl ester
8-Bromo-5,7-difluoroquinoline
2-Chloro-5-nitro-N-3-oxetanyl-4-pyrimidinamine
2-[3-(4-Fluorophenyl)azetidin-3-yl]acetic acid
Sodium 2-hydroxy-3-((((2-methyltridecan-2-yl)oxy)carbonyl)amino)propane-1-sulfonate
Methyl 5-(3-aminoprop-1-yn-1-yl)pyridine-3-carboxylate

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.