ChemicalBook--->CAS DataBase List--->103-49-1

103-49-1

103-49-1 Structure

103-49-1 Structure
IdentificationMore
[Name]

Dibenzylamine
[CAS]

103-49-1
[Synonyms]

DBA
DBZA
DIBAM
DIBENZYLAMINE
LABOTEST-BB LTBB000423
N,N-DIBENZYLAMINE
N-(Phenylmethyl)-benzenemethanamine
Accelerator DBA
Benzenemethanamine, N-(phenylmethyl)-
Benzenemethanamine,N-(phenylmethyl)-
n-(phenylmethyl)-benzenemethanamin
N-Benzyl(phenyl)methanamine
N-Benzylbenzylamine
Vulcaid 28
forLabetalol
Dibenzylamine 98%
DIBENZYLAMINE pure
(N-Benzylaminomethyl)benzene
Dibenzylamine ,99%
1,1'-(Iminobismethylene)bisbenzene
[EINECS(EC#)]

203-117-7
[Molecular Formula]

C14H15N
[MDL Number]

MFCD00004770
[Molecular Weight]

197.28
[MOL File]

103-49-1.mol
Chemical PropertiesBack Directory
[Appearance]

Colorless to light yellow liqui
[Melting point ]

-26 °C (lit.)
[Boiling point ]

300 °C (lit.)
[density ]

1.026 g/mL at 25 °C(lit.)
[vapor pressure ]

1-1013hPa at 113.1-286℃
[refractive index ]

n20/D 1.574(lit.)
[Fp ]

290 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

0.4g/l
[form ]

Liquid
[pka]

pK1:8.52(+1) (25°C)
[color ]

Clear colorless to light yellow
[Odor]

ammonia-like odor
[PH]

8.9 (H2O, 20℃)
[Stability:]

Stable. Incompatible with oxidizing agents, acid anhydrides, acids, acid chlorides, chloroformates.
[Water Solubility ]

0.05 g/L (20 ºC)
[Detection Methods]

GC
[Merck ]

14,3011
[BRN ]

909664
[Dielectric constant]

3.6(20℃)
[InChI]

1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2
[InChIKey]

BWLUMTFWVZZZND-UHFFFAOYSA-N
[SMILES]

C(NCc1ccccc1)c2ccccc2
[LogP]

2.67 at 20℃
[CAS DataBase Reference]

103-49-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Dibenzylamine(103-49-1)
[EPA Substance Registry System]

103-49-1(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)Environment (GHS09)
GHS05,GHS07,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H314-H410
[Precautionary statements ]

P270-P273-P280-P301+P312-P303+P361+P353-P305+P351+P338
[Hazard Codes ]

Xn,Xi,C
[Risk Statements ]

R22:Harmful if swallowed.
R36/38:Irritating to eyes and skin .
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2810
[WGK Germany ]

3
[Hazard Note ]

Irritant/Corrosive
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29214980
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1C
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ammonia
[Preparation Products]

N-Benzylhydroxylamine hydrochloride-->Cyclic octaatomic sulfur-->Tribenzylamine-->3-Aminomethyl-3-[bis(phenylmethyl)amino]oxetane-->N-BENZYLDIETHYLAMINE-->DIBENZYLDITHIOCARBAMIC ACID SODIUM SALT-->5-(N,N-Dibenzylglycyl)salicylamide-->Tetrabenzylthiuramdisulfide-->(+/-)-1,2-DIPHENYLETHYLENEDIAMINE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Dibenzylamine(103-49-1).msds
Hazard InformationBack Directory
[Description]

Dibenzyl amine (Dibenzylamine), molecular formula C14H15N, molecular weight 197.28, specific density 1.026, fusing point-26 ℃, 300 ℃ of boiling points, specific refractory power 1.574-1.576,143 ℃ of flash-points, water-soluble 0.05G/L (20 ℃). Dibenzyl amine is a colourless oil liquid, is smelly of ammonia, is soluble in ethanol and ether, and is water insoluble. Skin and mucous membranes have a stronger pungency. Dibenzyl amine is an important organic synthesis intermediate. Because dibenzylamine can not derive any carcinogenic nitrosamine and be widely used in the building-up process of medicine such as penicillin, and Linezolid, simultaneously, dibenzylamine can be used for producing the vulcanization accelerator zinc dibenzyldithiocarbamate (ZBEC) of high effect nontoxic and tetra-benzyl thiram disulfide (TBZTD) and can be used for the mensuration of cobalt, iron, cyanate etc.
[Chemical Properties]

Colorless to light yellow liqui
[Uses]

Detection of cobalt, cyanate and iron.
[Application]

Dibenzylamine is an important organic synthesis intermediate, mainly used to produce efficient and non-toxic vulcanization accelerators tetrabenzylthiuramdisulfide (TBZTD) and zinc dibenzyldithiocarbamate (ZBEC). Synthesize penicillin and curing agent for rubber and plastic curing, and can be used in the detection of cobalt, cyanate, and iron.
[Definition]

ChEBI: Dibenzylamine is an aromatic amine.
[Preparation]

Dibenzylamine is obtained by the reaction of benzyl chloride and liquid ammonia in ethanol.
[Biological Functions]

Dibenzylamine (DBA) has anticonvulsant effects. It can block NMDA-evoked currents in a concentration and voltage-dependent manner. This conclusion was researched in an audiogenic seizure-susceptible mouse model. It possesses antiproliferative properties and could be of interest for the development of new antitumor drugs.
[Synthesis Reference(s)]

Tetrahedron Letters, 26, p. 4633, 1985 DOI: 10.1016/S0040-4039(00)98771-9
The Journal of Organic Chemistry, 60, p. 5969, 1995 DOI: 10.1021/jo00123a041
[Hazard]

Dibenzylamine is danger.
H302 (99.32%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (57.43%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H315 (42.57%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (42.57%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H412 (32.43%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
[Synthesis]

The synthesis process of dibenzylamine comprises the following steps: reacting raw materials (benzaldehyde and ammonium hydroxide) for 20-70min at 60-120 DEG C under a hydrogen pressure of 0.5-2.0MPa in the presence of a catalyst, wherein alcohol with 1-4 carbon atoms can be added optionally to serve as an organic solvent and a phase transfer catalyst can be added optionally; by the end of the reaction, cooling, filtering to recover the catalyst, layering the filtrate to obtain a dibenzylamine product; and recycling and reusing excessive ammonium hydroxide.
[Purification Methods]

Purify the amine by distillation in a vacuum. It causes burns to the skin. The dihydrochloride has m 265-266o (from MeOH/HCl), and the tetraphenyl boronate has m 129-133o. [Bradley & Maisey J Chem Soc 247 1954, Hall J Phys Chem 60 63 1956, Donetti & Bellora J Org Chem 37 3352 1972, Beilstein 12 IV 2179.]
Spectrum DetailBack Directory
[Spectrum Detail]

Dibenzylamine(103-49-1)MS
Dibenzylamine(103-49-1)1HNMR
Dibenzylamine(103-49-1)13CNMR
Dibenzylamine(103-49-1)IR1
Dibenzylamine(103-49-1)IR2
Dibenzylamine(103-49-1)IR3
Dibenzylamine(103-49-1)Raman
Dibenzylamine(103-49-1)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Dibenzylamine, 98%(103-49-1)
[Alfa Aesar]

Dibenzylamine, 98%(103-49-1)
[Sigma Aldrich]

103-49-1(sigmaaldrich)
[TCI AMERICA]

Dibenzylamine,>97.0%(GC)(103-49-1)
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