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C71807

8-Chlorotheophylline

Name: 8-Chlorotheophylline
Brand: ALDRICH

98%

Synonym(s):

8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione

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About This Item

Empirical Formula (Hill Notation):

C₇H₇ClN₄O₂

CAS Number:

85-18-7

Molecular Weight:

214.61

UNSPSC Code:

12352100

PubChem Substance ID:

24892943

EC Number:

201-590-4

MDL number:

MFCD00005581

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Properties

assay

98%

mp

290 °C (dec.) (lit.)

SMILES string

CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O

InChI

1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

InChI key

RYIGNEOBDRVTHA-UHFFFAOYSA-N

Gene Information

rat ... Adora1(29290), Adora2a(25369)

Description

pictograms

GHS07

signalword

Warning

hcodes

H302

pcodes

P264 - P270 - P301 + P312 + P330 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

13 - Non Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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