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100-46-9

Basic Information
CAS No.: 100-46-9
Name: Benzylamine
Article Data: 960
Cas Database
Molecular Structure:
Molecular Structure of 100-46-9 (Benzylamine)
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: CorrosiveC
Risk Codes: 21/22-34
Safety: 26-36/37/39-45
Transport Information: UN 2735 8/PG 2
PSA: 26.02000
LogP: 1.84560
Synthetic route
622-79-7

benzyl azide

100-46-9

benzylamine

Conditions
ConditionsYield
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%
100-47-0

benzonitrile

100-46-9

benzylamine

Conditions
ConditionsYield
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
ConditionsYield
With diethylamine; palladium diacetate; trisodium tris(3-sulfophenyl)phosphine In water; acetonitrile for 0.166667h; Ambient temperature;100%
4383-22-6

Allylbenzylamine

100-46-9

benzylamine

Conditions
ConditionsYield
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%
4383-26-0

N,N-di-2-propenylbenzylamine

100-46-9

benzylamine

Conditions
ConditionsYield
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
ConditionsYield
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%

N-benzyl-2,4-dinitro-benzenesulfonamide

A

3165-76-2

S-(2,4-Dinitrophenyl)-cystein

B

7446-09-5

sulfur dioxide

C

100-46-9

benzylamine

Conditions
ConditionsYield
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
ConditionsYield
With phenylsilane In toluene at 111℃; for 12h;100%
100-52-7

benzaldehyde

100-46-9

benzylamine

Conditions
ConditionsYield
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%
1576-37-0

N-benzyl-p-toluenesulfonamide

100-46-9

benzylamine

Conditions
ConditionsYield
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.