8-Chlorotheophyline

Modify Date: 2024-01-02 12:26:05

8-Chlorotheophyline Structure
8-Chlorotheophyline structure
Common Name 8-Chlorotheophyline
CAS Number 85-18-7 Molecular Weight 214.609
Density 1.6±0.1 g/cm3 Boiling Point 455.0±55.0 °C at 760 mmHg
Molecular Formula C7H7ClN4O2 Melting Point 290 °C (dec.)(lit.)
MSDS N/A Flash Point 229.0±31.5 °C

 Names

Name 8-chlorotheophylline
Synonym More Synonyms

 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

 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

~%

8-Chlorotheophyline Structure

8-Chlorotheophyline

CAS#:85-18-7

Literature: Chemische Berichte, , vol. 63, p. 2876,2877

~59%

8-Chlorotheophyline Structure

8-Chlorotheophyline

CAS#:85-18-7

Literature: Mosselhi; Pfleiderer Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 5 p. 1221 - 1228

~99%

8-Chlorotheophyline Structure

8-Chlorotheophyline

CAS#:85-18-7

Literature: Kuz'menko; Zvolinskaya Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 8 p. 963 - 970

~73%

8-Chlorotheophyline Structure

8-Chlorotheophyline

CAS#:85-18-7

Literature: Kuz'menko; Zvolinskaya Chemistry of Heterocyclic Compounds, 2000 , vol. 36, # 8 p. 963 - 970

~%

8-Chlorotheophyline Structure

8-Chlorotheophyline

CAS#:85-18-7

Literature: DE86562 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 4, p. 1249 Chemische Berichte, , vol. 28, p. 3139 Chemische Berichte, , vol. 39, p. 430

~%

8-Chlorotheophyline Structure

8-Chlorotheophyline

CAS#:85-18-7

Literature: Annali di Chimica (Rome, Italy), , vol. 47, p. 362,364

 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%

 Synonyms

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