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8-Chlorotheophylline structure, CAS 85-18-7

8-Chlorotheophylline

CAS Number85-18-7

Synonyms8-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

Molecular FormulaC7H7ClN4O2

Molecular Weight214.61

Purity98.00%

Density1.6±0.1 g/cm3

Boiling Point455.0±55.0 °C at 760 mmHg

Melting Point290 °C (dec.)(lit.)

Flash Point

Appearancewhite powder

EINECS

MSDSChineseEnglish

Symbol6.1(b)

Signal WordWarning

Cat. No.: 2A-9017436 Purity: 98.00%
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Quality Control of [ 85-18-7 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number85-18-7
Catalog No.2A-9017436
Chinese Name8-氯茶碱
Synonyms8-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
Molecular FormulaC7H7ClN4O2
Molecular Weight214.61
Purity98.00
Density1.6±0.1 g/cm3
Boiling Point455.0±55.0 °C at 760 mmHg
Melting Point290 °C (dec.)(lit.)
Appearancewhite powder
Water SolubilitySLIGHTLY SOLUBLE
Storage ConditionRefrigerator
PackagingIII
HTC2933990090
MDL NumberC7H7ClN4O2
SMILESCn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
InChIInChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)
InChI KeyRYIGNEOBDRVTHA-UHFFFAOYSA-N
Hazard Symbols6.1(b)
MSDSmsds/17436_1_85_18_7.pdf
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Purity: 98.0%
MSDS Transport InfoModule 14. Shipping information United Nations classification: inconsistent with United Nations classification standards UN number: not specified 8-chlorophylline
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