2-[(4-methyl)pentyl]-benzonitrile

2-氰基-4'-甲基联苯

What is 2-[(4-methyl)pentyl]-benzonitrile, cas no:114772-53-1,a producer telling you the result.

CAS NO.114772-53-1

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To begin with, let us tell you what is the basic information of2-[(4-methyl)pentyl]-benzonitrile ?

Molecular Formula	C14H11N	Molecular Weight	193.244
Density	1.1±0.1 g/cm3	Boiling Point	356.8±21.0 °C at 760 mmHg
Flash Point	170.4±14.6 °C	Melting Point	49~51 °C

Like many stuff, it has many synonyms as follows

MFCD00151805

EINECS 422-310-9

[1,1'-Biphenyl]-2-carbonitrile, 4'-methyl-

Sartandiphenyl

4'-Methyl-2-cyanobip

4‘-Methyl-2-cyanobiphenyl

4-Cyanomethylbiphenyl

4'-Methylbiphenyl-2-carbonitrile

2MPPC

4-methyl-2'-cyanobiphenyl

NCR BR D1

2-Cyano-4'-methylbiphenyl

OTBN

Sartanbiphenyl

2'-cyano-4-methyl-1,1'-biphenyl

2-Cyano-4-Methylbiphenyl

2-tolylbenzonitrile

4'-Methyl-2-biphenylcarbonitrile

4'-Methyl[1,1'-biphenyl]-2-carbonitrile

4-Methyl-[1,1'-biphenyl]-2-carbonitrile

First, the chemical is very special, some technical indexes as below

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Physical property data

1. Appearance: White or yellow crystalline powder

2. Density (g/mL, 25 ℃): 1.17

3. Relative vapor density (g/mL, air=1): not determined

4. Melting point (º C): 49-51

5. Boiling point (º C, atmospheric pressure):> three hundred and twenty

6. Boiling point (º C, 3mmHg): undetermined

7. Refractive index (n20/D): undetermined

8. Flash point (º C): undetermined

9. Specific rotation (º): not determined

10. Spontaneous combustion point or ignition temperature (º C): not determined

11. Vapor pressure (mmHg, 20 º C): not determined

12. Saturated vapor pressure (kPa, 25 º C): not determined

13. Combustion heat (KJ/mol): undetermined

14. Critical temperature (º C): not determined

15. Critical pressure (KPa): undetermined

16. Logarithmic value of oil-water (octanol/water) partition coefficient: undetermined

17. Explosion upper limit (%, V/V): undetermined

18. Lower explosive limit (%, V/V): not determined

19. Solubility: undetermined

toxicology data

1. Acute toxicity: Rat oral LD50: 1421mg/kg; Rat dermal LD50:> 2000mg/kg；

Ecological data

Slightly harmful to water, avoid undiluted or large amounts of products coming into contact with groundwater, waterways, or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Organic matter and fish in water are highly toxic and are prohibited from entering the water.

Molecular structure data

1. Molar refractive index: 60.64

2. Molar volume (cm3/mol): 176.2

3. Waiting for Zhang Biarong (90.2K): 463.3

4. Surface tension (dyne/cm): 47.7

5. Dielectric constant: No available

6. Polarization rate (10-24cm3): 24.04

7. Single isotope mass: 193.089149 Da

8. Nominal mass: 193 Da

9. Average quality: 193.2438 Da

Calculate chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: None

6. Topological molecular polarity surface area 23.8

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 241

10. Number of isotopic atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Nature and stability

Stable at room temperature and pressure, avoid contact with strong oxidants.

Storage:

Sealed storage, stored in a cool and dry warehouse. Stay away from oxidants.

synthetic method

Second, the Synthetic Route we will recommend is the most important for your reference?

First, synthesis line of2-[(4-methyl)pentyl]-benzonitrile CAS NO.114772-53-1 as follows

Manufacturing method:

Prepared by reacting potassium carbazole with ethylene oxide (or vinyl chloride).
Carbazole and acetylene are added under high pressure.

Third, what is the usage of 2-[(4-methyl)pentyl]-benzonitrile CAS NO.114772-53-1 ? pleas see below

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Main Usage: Pharmaceutical intermediates used for the synthesis of novel sartan based antihypertensive drugs, such as Losartan, Valsartan, Irbesartan, Irbesartan, etc

Used for the synthesis of 4'-(aminomethyl)biphenyl-2-carbonitrile Cas no. 133690-92-3

Used for the synthesis of Losartan potassium,Cas no. 124750-99-8

Used for the synthesis of 5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole Cas no. 111-87-5

Besides Safety Information of2-[(4-methyl)pentyl]-benzonitrile CAS NO.114772-53-1 is also important when handling it

Hazard Codes	Xi
WGK Germany	3
H．S．Code：	2926 9090.90
TSCA	Yes
HazardClass	IRRITANT

What is the appearance of 2-[(4-methyl)pentyl]-benzonitrile CAS NO.114772-53-1? Please see the picture of2-[(4-methyl)pentyl]-benzonitrile CAS NO.114772-53-1, below