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| CAS No.: | 114772-54-2 |
|---|---|
| Name: | 4-Bromomethyl-2-cyanobiphenyl |
| Molecular Structure: | |
|
|
|
| Formula: | C14H10BrN |
| Molecular Weight: | 272.144 |
| Synonyms: | 2-(4-Bromomethylphenyl)benzonitrile;2-Cyano-4'-(bromomethyl)biphenyl;2'-(Cyano)biphenyl-4-ylmethyl bromide;2'-Cyano-4-(bromomethyl)-1,1'-biphenyl;4-(2-Cyanophenyl)benzyl bromide;4-(Bromomethyl)-2'-cyanobiphenyl;4-Bromomethyl-2'-cyano-1,1'-biphenyl;4'-(Bromomethyl)-2-cyanobiphenyl;4'-(Bromomethyl)[1,1'-biphenyl]-2-carbonitrile;4'-Bromomethylbiphenyl-2-carbonitrile;2-Cyano-4'-Bromomethylbiphenyl;2-Cyano-4'-Bromomethyl Biphenyl; |
| EINECS: | 425-280-5 |
| Density: | 1.43 g/cm3 |
| Melting Point: | 125-128 °C(lit.) |
| Boiling Point: | 413.2°Cat760mmHg |
| Flash Point: | 203.7°C |
| Solubility: | Insoluble in water |
| Appearance: | Cream powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 23.79000 |
| LogP: | 4.12018 |
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- 114772-53-1
2-Cyano-4'-methylbiphenyl
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane | 96% |
| With bromine In water; 1,2-dichloro-ethane at 84℃; for 0.25h; Temperature; Solvent; Irradiation; Flow reactor; | 96.3% |
| With bromine In 1,2-dichloro-ethane at 70℃; for 0.5h; Reagent/catalyst; Temperature; Time; Irradiation; | 94% |
- 64113-85-5
2-cyano-4-methylbiphenyl
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| With 5,5-dibromohydantoin In dichloromethane at 50℃; for 0.5h; Temperature; Reagent/catalyst; Irradiation; | 94% |
| With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane at 100℃; for 2h; |
- 114772-53-1
2-Cyano-4'-methylbiphenyl
- 107-06-2
1,2-dichloro-ethane
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| With bromine In water | 89.4% |
| With N-Bromosuccinimide In water | 79.6% |
- 114772-53-1
2-Cyano-4'-methylbiphenyl
A
- 209911-63-7
2-(4,4-dibromomethylphenyl)benzonitrile
B
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide; Azo-bis(2,4-dimethyl-valeronitril) In dichloromethane at 45 - 50℃; for 2 - 5h; Industry scale; | A n/a B 82% |
| With sodium bromate; hydrogen bromide In dichloromethane; water at 0 - 20℃; UV-irradiation; | A 10% B 80% |
| With sodium bromate; azobis(2-cyanobutane); bromine In water; chlorobenzene at 70 - 80℃; for 6h; | A n/a B 69% |
- 114772-53-1
2-Cyano-4'-methylbiphenyl
- 4419-11-8, 108346-39-0, 108346-40-3
2,2'-azobis (2,4-dimethyl valeronitrile)
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| With N-Bromosuccinimide In dichloromethane; water | 80.5% |
- 114772-53-1
2-Cyano-4'-methylbiphenyl
- 108-90-7
chlorobenzene
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| With bromine | 75% |
- 3839-22-3
2-cyanobenzoic acid
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 71 percent / copper(II) oxide; potassium carbonate; potassium fluoride / palladium(II) bromide; 1,10-phenanthroline / quinoline / 24 h / 170 °C 2: 45 percent / N-bromosuccinimide; azobis(isobutyronitrile) / CCl4; cyclohexane / 18 h / 75 °C View Scheme |
- 131-63-5
ammonium 2-(aminocarbonyl)benzoate
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 72 percent / acetic anhydride; pyridine 2: 71 percent / copper(II) oxide; potassium carbonate; potassium fluoride / palladium(II) bromide; 1,10-phenanthroline / quinoline / 24 h / 170 °C 3: 45 percent / N-bromosuccinimide; azobis(isobutyronitrile) / CCl4; cyclohexane / 18 h / 75 °C View Scheme |
- 57598-33-1
2-(2-methoxyphenyl)-4,4-dimethyl-2-oxazoline
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: tetrahydrofuran / 2 h / 20 °C 2: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C 3: N-bromosuccinimide, dibenzoyl peroxide / CCl4 / 3 h / Heating View Scheme | |
| Multi-step reaction with 4 steps 1: magnesium / tetrahydrofuran 2: hydrogenchloride 3: thionyl chloride / water; toluene 4: dibenzoyl peroxide View Scheme |
- 74201-13-1
N-(2-hydroxy-1,1-dimethyl)-2-methoxybenzamide
- 114772-54-2
4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: thionyl chloride / 1 h / 25 °C 2: tetrahydrofuran / 2 h / 20 °C 3: 96 percent / pyridine, phosphorus oxychloride / 3 h / 100 °C 4: N-bromosuccinimide, dibenzoyl peroxide / CCl4 / 3 h / Heating View Scheme |
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Chemistry
Synonyms: 4'-BROMOMETHYLBIPHENYL-2-CARBONITRILE;[1,1'-BIPHENYL]-2-CARBONITRILE, 4'-(BROMOMETHYL)-;2-(4-BROMO-METHYLPHENYL) BENZONITRILE;OTBNBR ;2'-CYANO-4-BROMOMETHYL BIPHENYL;2-CYANO-4'-BROMOMETHYLBIPHENYL;4'-BROMOMETHYL-2-BIPHENYLCARBONITRILE;4'-BROMOMETHYL-2-CYANOBIPHENYL;
Molecular formula: C14H10BrN
Molecular formula: 272.14
EINECS: 425-280-5
Index of Refraction: 1.64
Molar Refractivity: 68.37 cm3
Molar Volume: 189.6 cm3
Surface Tension: 54.9 dyne/cm
Density: 1.43 g/cm3
Flash Point: 203.7 °C
Enthalpy of Vaporization: 66.6 kJ/mol
Boiling Point: 413.2 °C at 760 mmHg
Vapour Pressure: 4.87E-07 mmHg at 25 °C
Melting point: 125-128 °C(lit.)
Appearance: Cream powder
Structure of 2-Cyano-4'-bromomethylbiphenyl (CAS NO.114772-54-2):
IUPAC Name: 2-[4-(Bromomethyl)phenyl]benzonitrile
Canonical SMILES: C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr
InChI: InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2
InChIKey: LFFIEVAMVPCZNA-UHFFFAOYSA-N
Product Category of 2-Cyano-4'-bromomethylbiphenyl (CAS NO.114772-54-2): Chemical intermediate for Sartan;Biphenyl & Diphenyl ether;API intermediates;Sartan's serie;Hypertension;Intermediates of Irbesartan;Irbesartan
Toxicity Data With Reference
2-Cyano-4'-bromomethylbiphenyl (CAS NO.114772-54-2) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. And the toxicological properties have not been fully investigated. You can see actual entry in RTECS for complete information.
Safety Profile
Hazard Codes: 
Xi,Xn
The Risk Statements information of 2-Cyano-4’-bromomethylbiphenyl:
20/21/22: Harmful by inhalation, in contact with skin and if swallowed
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of 2-Cyano-4’-bromomethylbiphenyl:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37: Wear suitable protective clothing and gloves
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADRP:3439
WGK Germany:3
Hazard Note:Irritant
Specification
2-Cyano-4'-bromomethylbiphenyl , its cas register number is 114772-54-2. It also can be called 4-Bromomethyl-2-cyanobiphenyl ; and 4'-Bromomethyl-2-biphenylcarbonitrile . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately. Notes to physician: Treat supportively and symptomatically.
In addition, 2-Cyano-4'-bromomethylbiphenyl (CAS NO.114772-54-2) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, acids, strong bases, acid chlorides, carbon dioxide, acid anhydrides, and you must not take it with incompatible materials. And also prevent it to broken down into hazardous decomposition products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen bromide.