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7-(2-Chloroethyl)theophylline

7-(2-Chloroethyl)theophylline structure

CAS No:
5878-61-5
Formula:
C9H11ClN4O2
Chemical Name:
7-(2-Chloroethyl)theophylline
Synonyms:
1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-;Theophylline,7-(2-chloroethyl)-;7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;7-(β-Chloroethyl)theophylline;β-Chloroethyltheophylline;7-(2-Chloroethyl)theophylline;7-(β-Chlorethyl)theophylline;Benaphyllin;Eupnophile;7-(Chloroethyl)theophylline;7-(2-Chloroethyl)-1,3-dimethylxanthine;Benaphylline;NSC 337614
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Description

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7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione is an oxopurine.

7-(2-Chloroethyl)theophylline Basic Attributes

Molecular Weight：

242.66

Exact Mass：

242.66

EC Number：

227-553-2

UNII：

Y7202UN6B7

NSC Number：

337614

DSSTox ID：

DTXSID80207510

HScode：

2933990090

Characteristics

PSA：

58.4

XLogP3：

0.1

Appearance：

White Crystalline Powder

Density：

1.51g/cm3

Melting Point：

121.5-122.5 °C

Boiling Point：

459.8ºC at 760 mmHg

Flash Point：

231.9ºC

Refractive Index：

1.671

Water Solubility：

soluble in DMSO. Moderately soluble in ethanol.

Safety Information

hazard class code：

RTECS Number：

XH5090000

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

7-(2-chloroethyl)theophylline

Computed Properties

Molecular Weight:242.66
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:242.0570533
Monoisotopic Mass:242.0570533
Topological Polar Surface Area:58.4
Heavy Atom Count:16
Complexity:325
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(2-Chloroethyl)theophylline

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Latest News
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7-(2-Chloroethyl)theophylline

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