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| CAS No.: | 100-46-9 |
|---|---|
| Name: | Benzylamine |
| Article Data: | 960 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H9N |
| Molecular Weight: | 107.155 |
| Synonyms: | phenylmethanamine;1-phenylmethanamine;Monobenzylamine;.omega.-Aminotoluene;benzylazanium;(Phenylmethyl)amine;benzenemethanamine;.alpha.-Aminotoluene;Benzylamine(BA);Benzyl amine;N-Benzylamine;Benzylamine 99%; |
| EINECS: | 202-854-1 |
| Density: | 0.979 g/cm3 |
| Melting Point: | -30 °C |
| Boiling Point: | 185 °C at 760 mmHg |
| Flash Point: | 60 °C |
| Solubility: | Soluble in water |
| Appearance: | colourless liquid with an ammoniacal odour |
| Hazard Symbols: |
 C
|
| Risk Codes: | 21/22-34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 2735 8/PG 2 |
| PSA: | 26.02000 |
| LogP: | 1.84560 |
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| Conditions | Yield |
|---|---|
| With Zn(BH4)2(Ph3P)2 In tetrahydrofuran for 0.25h; Reduction; Heating; | 100% |
| With sodium tetrahydroborate; tin bis(1,2-benzenedithiolate) In tetrahydrofuran; phosphate buffer at 10℃; for 0.5h; pH=10; Product distribution; Further Variations:; pH-values; Solvents; Reduction; | 100% |
| With (Sn(SPh)3)(Et3N) In benzene at 15℃; for 0.0833333h; | 99% |
| Conditions | Yield |
|---|---|
| With lithium borohydride; 9-methoxy-9-BBN In diethyl ether at 25℃; for 5h; Product distribution; rate of reduction; | 100% |
| With borane N-ethyl-N-isopropylaniline complex In tetrahydrofuran for 0.1h; Heating; | 100% |
| With hydrogen; palladium In methanol at 20℃; for 432h; | 100% |
- 104669-74-1
benzyl carbamic acid allyl ester
- 100-46-9
benzylamine
| Conditions | Yield |
|---|---|
| With diethylamine; palladium diacetate; trisodium tris(3-sulfophenyl)phosphine In water; acetonitrile for 0.166667h; Ambient temperature; | 100% |
| Conditions | Yield |
|---|---|
| With Thiosalicylic acid; 1,4-di(diphenylphosphino)-butane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 60℃; for 0.5h; effect of temperature on deprotection of various primary and secondary allylamines; | 100% |
| With Thiosalicylic acid; 1,4-di(diphenylphosphino)-butane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 60℃; for 0.5h; | 100% |
| With polymethylhydrosiloxane; zinc(II) chloride; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; | 92% |
| With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); diisobutylaluminium hydride In toluene for 1h; Ambient temperature; | 66% |
| Conditions | Yield |
|---|---|
| With Thiosalicylic acid; 1,4-di(diphenylphosphino)-butane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 60℃; for 0.5h; | 100% |
| With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); diisobutylaluminium hydride In toluene for 1h; Ambient temperature; | 79% |
- 42116-44-9
N-tert-butoxycarbonylbenzylamine
- 100-46-9
benzylamine
| Conditions | Yield |
|---|---|
| With methanol; Acetyl bromide In dichloromethane at 25℃; for 0.333333h; | 100% |
| With 3-butyl-l-methyl-1H-imidazol-3-iumtrifloroacetate In 1,4-dioxane; water at 80 - 82℃; for 4h; | 98% |
| With nitric acid In dichloromethane at 0℃; for 1h; | 95% |
| Conditions | Yield |
|---|---|
| In aq. phosphate buffer for 0.5h; pH=7.4; | A n/a B 100% C n/a |
- 52826-45-6
(benzylimino)triphenylphosphorane
- 100-46-9
benzylamine
| Conditions | Yield |
|---|---|
| With phenylsilane In toluene at 111℃; for 12h; | 100% |
| Conditions | Yield |
|---|---|
| With ammonia; hydrogen In methanol at 90℃; under 15001.5 Torr; for 4h; Solvent; Temperature; Pressure; Autoclave; | 99.7% |
| With Candida boidinii formate dehydrogenase; Geobacillus stearothermophilus ε‐deaminating L‐lysine dehydrogenase variant 1; nicotinamide adenine dinucleotide In aq. buffer at 30℃; for 24h; pH=8.5; Reagent/catalyst; Enzymatic reaction; | 99% |
| With ammonium hydroxide; hydrogen In ethanol at 130℃; under 7500.75 Torr; for 12h; Autoclave; | 96.9% |
| Conditions | Yield |
|---|---|
| Stage #1: N-benzyl-p-toluenesulfonamide With n-butyllithium In tetrahydrofuran at 0℃; Stage #2: With naphthalene; lithium In tetrahydrofuran at -78 - 20℃; | 99% |
| Stage #1: N-benzyl-p-toluenesulfonamide With n-butyllithium In tetrahydrofuran at 0℃; for 0.166667h; Inert atmosphere; Stage #2: With naphthalene; lithium In tetrahydrofuran at -78 - 25℃; Stage #3: With water In tetrahydrofuran | 99% |
| With naphthalene; water; lithium 1.) THF, -78 deg C, 2 h; Yield given. Multistep reaction; |
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Chemistry
Molecular Structure of Benzylamine (CAS NO.100-46-9):
IUPAC Name: phenylmethanamine
Molecular formula: C7H9N
Molecular Weight:107.15
H bond acceptors: 1
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 3.24 Å2
Index of Refraction: 1.547
Molar Refractivity: 34.7 cm3
Molar Volume: 109.4 cm3
Surface Tension: 38.8 dyne/cm
Density: 0.979 g/cm3
Flash Point: 60 °C
Enthalpy of Vaporization: 42.12 kJ/mol
Boiling Point: 185 °C at 760 mmHg
Vapour Pressure: 0.713 mmHg at 25°C
EINECS: 202-854-1
Melting point: -30 °C
Product Categories: Pharmaceutical Intermediates; Organics
InChI
InChI=1/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
Smiles
c1(ccccc1)CN
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | oral | 700mg/kg (700mg/kg) | Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. | |
| mouse | LD50 | intraperitoneal | 600mg/kg (600mg/kg) | United States Patent Document. Vol. #3816470, |
Safety Profile
The Hazard Codes: 
C
The Risk Statements information:
34: Causes burns
21/22: Harmful in contact with skin and if swallowed
The Safety Statements information:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
RIDADR: UN 2735 8/PG 2
Specification
Benzylamine , with CAS number of 100-46-9, can be called .alpha.-Aminotoluene ; (Aminomethyl)benzene ; (Phenylmethyl)amine ; Benzenemethanamine ; Moringine ; alpha-Aminotoluene . Benzylamine (CAS NO.100-46-9) consists of a benzyl group, attached to an amine functional group. This colorless liquid is a common precursor in organic synthesis.