Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 8-Chlorotheophylline
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Stocking Period: Inquiry
Contact: Ms Wang

Xi'an Reach Pharmaceutical Technology Co.,Ltd.
China
Product Name: 8-Chloro Theophylline
Price: ￥Inquiry/1kg
Purity: 96.0%
Stocking Period: Inquiry
Contact: Grace

85-18-7

85-18-7 structure

Name: 8-Chlorotheophyline
Chemical Name: 8-chlorotheophylline
CAS Number: 85-18-7
Molecular Formula: C₇H₇ClN₄O₂
Molecular Weight: 214.609
Catalog: Natural product Alkaloid
Create Date: 2018-03-05 08:00:00
Modify Date: 2024-01-02 12:26:05

Name	8-chlorotheophylline
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

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

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

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

58-55-9

85-18-7

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

2099-73-2

~59%

85-18-7

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

148122-86-5

~99%

85-18-7

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

52943-89-2

~73%

85-18-7

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

944-73-0

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

7647-01-0

2099-73-2

85-18-7

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

Precursor 5
58-55-9 2099-73-2 52943-89-2 944-73-0
7647-01-0
DownStream 10
58-55-9 586408-02-8 57260-71-6 1604-79-1
33120-34-2 6501-67-3 4638-03-3 145072-22-6
4921-49-7 6439-88-9

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%

85-18-7	95073-80-6
829666-50-4	874764-65-5
62436-97-9	1260843-88-6
101607-39-0	105665-95-0
331647-00-8	107688-09-5