8-Bromotheophylline
[CAS# 10381-75-6]

Identification

• Name: 8-Bromotheophylline
• Synonyms: 8-Bromo-1,3-dimethyl-7H-purine-2,6-dione
• Molecular Formula: C₇H₇BrN₄O₂
• Molecular Weight: 259.06
• CAS Registry Number: 10381-75-6
• EC Number: 233-846-6
• SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br

Properties

• Solubility: 7892 mg/L (25 °C water)
• Density: 1.9±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.652, Calc.^*
• Melting point: 207.62 °C
• Boiling Point: 489.34 °C, 469.5±55.0 °C (760 mmHg), Calc.^*
• Flash Point: 237.7±31.5 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302
Skin irritation	Skin Irrit.	2	H315
Eye irritation	Eye Irrit.	2A	H319
Specific target organ toxicity - single exposure	STOT SE	3	H335