112809-51-5

112809-51-5 structure

Name: Letrozole
Chemical Name: Letrozole
CAS Number: 112809-51-5
Molecular Formula: C₁₇H₁₁N₅
Molecular Weight: 263.337
Catalog: API Antineoplastic agents Hormone antineoplastic agents
Create Date: 2018-09-15 15:42:28
Modify Date: 2024-01-02 12:55:26
Letrozole is an aromatase inhibitor with an IC50 of 1-13 nM.

Name	Letrozole
Synonyms	4,4'-(1H-1,2,4-triazol-1-ylmethylene)bis(benzonitrile) UNII-7LKK855W8I Letrozol Letoval 5-[Bis(4-methylphenyl)methyl]-1H-1,2,4-triazole 1H-1,2,4-Triazole, 5-[bis(4-methylphenyl)methyl]- 4,4'-(1H-1,2,4-Triazol-1-ylmethylene)bisbenzonitrile Femera MFCD00866241 [14C]-Letrozole 4,4'-((1H-1,2,4-Triazol-1-yl)methylene)dibenzonitrile 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Femara Letrozole

Description	Letrozole is an aromatase inhibitor with an IC50 of 1-13 nM.
Related Catalog	Signaling Pathways >> Others >> Aromatase Signaling Pathways >> Autophagy >> Autophagy Research Areas >> Cancer
References	[1]. Haynes, B.P., et al., The pharmacology of letrozole. J Steroid Biochem Mol Biol, 2003. 87(1): p. 35-45. [2]. Bhatnagar, A.S., et al., Highly selective inhibition of estrogen biosynthesis by CGS 20267, a new non-steroidal aromatase inhibitor. J Steroid Biochem Mol Biol, 1990. 37(6): p. 1021-7. [3]. Dellapasqua, S. and M. Colleoni, Letrozole. Expert Opin Drug Metab Toxicol, 2010. 6(2): p. 251-9. [4]. Lee, K., et al., An in vivo model of intratumoural aromatase using aromatase-transfected MCF7 human breast cancer cells. Int J Cancer, 1995. 62(3): p. 297-302.

Density	1.1±0.1 g/cm3
Boiling Point	472.0±55.0 °C at 760 mmHg
Melting Point	181-183ºC
Molecular Formula	C₁₇H₁₁N₅
Molecular Weight	263.337
Flash Point	214.2±24.5 °C
Exact Mass	263.142242
PSA	78.29000
LogP	3.70
Vapour Pressure	0.0±1.2 mmHg at 25°C
Index of Refraction	1.615
Storage condition	-20°C Freezer

Material Safety Data Sheet

Section1. Identiﬁcation of the substance
Product Name: 4,4’-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile
Synonyms:

Section2. Hazards identiﬁcation
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:4,4’-((1H-1,2,4-triazol-1-yl)methylene)dibenzonitrile
CAS number:112809-51-5

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
ﬂushing of the eyes by separating the eyelids with ﬁngers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire ﬁghting measures
In the event of a ﬁre involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualiﬁed
in the handling and use of potentially hazardous chemicals, who should take into account the ﬁre,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not speciﬁed
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C17H11N5
Molecular weight:285.3

Section10. Stability and reactivity
Conditions to avoid: Heat, ﬂames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A

Hazard Codes	Xi: Irritant;C: Corrosive;
Risk Phrases	R36/37/38
Safety Phrases	26-36
RIDADR	NONH for all modes of transport
RTECS	DI4957000
HS Code	2933990090

Precursor 8
288-88-0 112809-57-1 290-87-9 112809-26-4
1194-02-1 41253-21-8 17201-43-3 112809-25-3
DownStream 0

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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