3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile
[CAS# 36140-83-7]

Identification

• Classification: Organic raw materials >> Nitrile compound
• Name: 3-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-oxopropanenitrile
• Molecular Formula: C₈H₉N₃O
• Molecular Weight: 163.18
• CAS Registry Number: 36140-83-7
• EC Number: 677-786-2
• SMILES: CC1=CC(=NN1C(=O)CC#N)C

Properties

• Solubility: 1.03e+004 mg/L (25 ºC water)
• Density: 1.2±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.572, Calc.^*
• Melting point: 96.24 ºC
• Boiling Point: 305.69 ºC, 331.4±44.0 ºC (760 mmHg), Calc.^*
• Flash Point: 154.2±28.4 ºC, Calc.^*

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

Safety Data

• Hazard Symbols: GHS07 Warning
• Hazard Statements: H302-H312-H315-H319-H332-H335
• Precautionary Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P317-P319-P321-P330-P332+P317-P337+P317-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Specific target organ toxicity - single exposure	STOT SE	3	H335
Acute toxicity	Acute Tox.	4	H302
Skin irritation	Skin Irrit.	2	H315
Acute toxicity	Acute Tox.	4	H332
Eye irritation	Eye Irrit.	2A	H319
Acute toxicity	Acute Tox.	4	H312