2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile NEW

2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

Modify Date: 2024-01-12 14:43:26

2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile structure	Common Name	2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile
	CAS Number	138500-86-4	Molecular Weight	243.109
	Density	1.1±0.1 g/cm3	Boiling Point	369.3±25.0 °C at 760 mmHg
	Molecular Formula	C14H18BNO2	Melting Point	68-72°C
	MSDS	N/A	Flash Point	177.2±23.2 °C

Purity		Quantity		Budget		Inquiry

• Properties

• Spectrum

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 Names

Name	4-(Cyanomethyl)benzeneboronic acid pinacol ester
Synonym	More Synonyms

 Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	369.3±25.0 °C at 760 mmHg
Melting Point	68-72°C
Molecular Formula	C14H18BNO2
Molecular Weight	243.109
Flash Point	177.2±23.2 °C
Exact Mass	243.143066
PSA	42.25000
LogP	2.05188
Vapour Pressure	0.0±0.8 mmHg at 25°C
Index of Refraction	1.506

 MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 4-Cyanomethylphenylboronic acid, pinacol ester Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Harmful if swallowed H302: Section3. Composition/information on ingredients. Ingredient name:4-Cyanomethylphenylboronic acid, pinacol ester CAS number:138500-86-4 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. Storage:Store in closed vessels, refrigerated. 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 No data Boiling point: Melting point:No data Flash point:No data Density:No data Molecular formula:C14H18BNO2 Molecular weight:243.1 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

 Safety Information

Hazard Codes	Xi
Risk Phrases	R20/22;R36/37/38
Safety Phrases	S26-S36/37/39
RIDADR	3439
Packaging Group	III
Hazard Class	6.1
HS Code	2934999090

 Synthetic Route

Previous 1/2 Next

4-iodophenylace... CAS#:51628-12-7 Pinacolborane CAS#:25015-63-8 ~99% 2-[4-(tetrameth... CAS#:138500-86-4

Literature: Davison, Joshua Zwick; Jones, Winton Dennis; Zarrinmayeh, Hamideh; Zimmerman, Dennis Michael Patent: US2003/225266 A1, 2003 ; Location in patent: Page 23 ;

4-(cyanomethyl)... CAS#:1350764-44-1 Pinacolborane CAS#:25015-63-8 ~71% 2-[4-(tetrameth... CAS#:138500-86-4

Literature: Murata, Miki; Oda, Takeshi; Sogabe, Yosuke; Tone, Hirofumi; Namikoshi, Takeshi; Watanabe, Shinji Chemistry Letters, 2011 , vol. 40, # 9 p. 962 - 963

4-Hydroxyphenyl... CAS#:14191-95-8 ~% 2-[4-(tetrameth... CAS#:138500-86-4

Literature: Journal of Organic Chemistry, , vol. 65, # 1 p. 164 - 168

 Precursor & DownStream

Precursor  7	Previous 1/2 Next
CAS#:51628-12-7 4-iodophenylace...  CAS#:25015-63-8 Pinacolborane  CAS#:14191-95-8 4-Hydroxyphenyl...  CAS#:143-33-9 Sodium cyanide
DownStream  2
CAS#:91983-26-5 [4-(Cyanomethyl...  CAS#:138500-90-0 2-[4-(4,4,5,5-t...

 Customs

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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