ChemicalBook--->CAS DataBase List--->3959-07-7

3959-07-7

3959-07-7 Structure

3959-07-7 Structure
IdentificationMore
[Name]

4-Bromobenzylamine
[CAS]

3959-07-7
[Synonyms]

4-BROMOBENZYLAMINE
AURORA KA-7547
P-BROMOBENZYLAMINE
RARECHEM AL BW 0025
(4-Bromophenyl)methanamine
Benzenemethanamine, 4-bromo-
4-BROMOBENZYLAMINE 99%
p-Bromobenzenemethanamine
[EINECS(EC#)]

223-559-4
[Molecular Formula]

C7H8BrN
[MDL Number]

MFCD00047931
[Molecular Weight]

186.05
[MOL File]

3959-07-7.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Melting point ]

25 °C(lit.)
[Boiling point ]

110-112 °C30 mm Hg(lit.)
[density ]

1.473 g/mL at 25 °C(lit.)
[refractive index ]

1.5855-1.5875
[Fp ]

>230 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

Liquid
[pka]

8.85±0.10(Predicted)
[color ]

Clear colorless
[InChI]

InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
[InChIKey]

XRNVSPDQTPVECU-UHFFFAOYSA-N
[SMILES]

C1(CN)=CC=C(Br)C=C1
[CAS DataBase Reference]

3959-07-7(CAS DataBase Reference)
[NIST Chemistry Reference]

p-Bromobenzylamine(3959-07-7)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
R21/22:Harmful in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3259 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

[HS Code ]

29214990
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Sodium hydroxide-->Hydrochloric acid-->Palladium-->Hydroxylamine hydrochloride-->4-Bromobenzaldehyde-->p-Bromobenzyl azide solution-->2-(4-bromobenzyl)-1H-isoindole-1,3(2H)-dione-->N-(4-Bromophenyl)formamide 97-->4-Bromobenzylamine hydrochloride-->4-Bromobenzyl bromide-->4-Dimethylaminobenzylamine-->Benzylamine-->4-Bromobenzonitrile
[Preparation Products]

N-(4-bromobenzyl)formamide-->4-(Cbz-aminomethyl)phenyboronic acid-->4-Aminomethylphenylboronic acid, pinacol ester, HCl-->AKOS BAR-2012
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Bromobenzylamine(3959-07-7).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to light yellow liquid
[Uses]

4-Bromobenzylamine (p-Bromobenzylamine) may be used to synthesize 7-[(p-bromobenzyl)ureido]-7,8-dihydro-α-bisabolene.
It may be used to synthesize the following 4-biphenylmethylamine derivatives:
  • (4′-fluoro-4-biphenyl)methylamine
  • (4′-methoxy-4-biphenyl)methylamine
  • (2′-methoxy-4-biphenyl)methylamine
  • (3′-cyano-4-biphenyl)methylamine
[General Description]

4-Bromobenzylamine (BBA), also known as p-bromobenzylamine, is an aryl bromide. The selective formation of nitrile or imine from BBA in the presence of red copper has been reported. The formal [4+4] reaction of BBA to form 2,6,9-triazabicyclo[3.3.1]nonane derivatives has been investigated.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Bromobenzylamine(3959-07-7)1HNMR
4-Bromobenzylamine(3959-07-7)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Bromobenzylamine, 99%(3959-07-7)
[Sigma Aldrich]

3959-07-7(sigmaaldrich)
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