Cimicoxib
[CAS# 265114-23-6]

Identification

• Name: Cimicoxib
• Synonyms: 4-[4-chloro-5-(3-fluoro-4-methoxyphenyl)imidazol-1-yl]benzenesulfonamide
• Molecular Formula: C₁₆H₁₃ClFN₃O₃S
• Molecular Weight: 381.81
• CAS Registry Number: 265114-23-6
• EC Number: 642-922-1
• SMILES: COC1=C(C=C(C=C1)C2=C(N=CN2C3=CC=C(C=C3)S(=O)(=O)N)Cl)F

Properties

• Solubility: 13.5 mg/L (25 °C water)
• Density: 1.5±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.650, Calc.^*
• Melting point: 243.16 °C
• Boiling Point: 565.43 °C, 593.1±60.0 °C (760 mmHg), Calc.^*
• Flash Point: 312.5±32.9 °C, Calc.^*

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

Safety Data

• Hazard Symbols: GHS05;GHS07;GHS08 Danger
• Risk Statements: H315-H317-H318-H334
• Safety Statements: P203-P260-P261-P264-P264+P265-P270-P271-P272-P273-P280-P281-P284-P302+P352-P304+P340-P305+P354+P338-P308+P316-P317-P318-P319-P321-P332+P317-P333+P313-P342+P316-P362+P364-P403+P233-P405-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Respiratory sensitization	Resp. Sens.	1	H334
Reproductive toxicity	Repr.	2	H361
Specific target organ toxicity - single exposure	STOT SE	3	H335
Specific target organ toxicity - single exposure	STOT SE	1	H370
Serious eye damage	Eye Dam.	1	H318
Skin sensitization	Skin Sens.	1	H317
Skin irritation	Skin Irrit.	2	H315
Chronic hazardous to the aquatic environment	Aquatic Chronic	4	H413
Germ cell mutagenicity	Muta.	2	H341