alpha-Desmethyl Anastrozole
[CAS# 1215780-15-6]

Identification

• Name: alpha-Desmethyl Anastrozole
• Synonyms: 2-[3-(1-cyanoethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
• Molecular Formula: C₁₆H₁₇N₅
• Molecular Weight: 279.34
• CAS Registry Number: 1215780-15-6
• EC Number: 680-789-1
• SMILES: CC(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N

Properties

• Density: 1.1±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.597, Calc.^*
• Boiling Point: 477.5±55.0 °C (760 mmHg), Calc.^*
• Flash Point: 242.6±31.5 °C, Calc.^*

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

Safety Data

• Hazard Symbols: GHS06;GHS08;GHS09 Danger
• Risk Statements: H301-H331-H351-H360-H362-H372-H410
• Safety Statements: P203-P260-P261-P263-P264-P270-P271-P273-P280-P301+P316-P304+P340-P316-P318-P319-P321-P330-P391-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Reproductive toxicity	Repr.	1B	H360
Acute toxicity	Acute Tox.	3	H301
Carcinogenicity	Carc.	2	H351
Chronic hazardous to the aquatic environment	Aquatic Chronic	1	H410
Acute toxicity	Acute Tox.	3	H331
Specific target organ toxicity - repeated exposure	STOT RE	1	H372
Reproductive toxicity	Lact.	-	H362