ChemicalBook--->CAS DataBase List--->10269-01-9

10269-01-9

10269-01-9 Structure

10269-01-9 Structure
IdentificationMore
[Name]

3-Bromobenzylamine
[CAS]

10269-01-9
[Synonyms]

3-BROMOBENZYLAMINE
RARECHEM AL BW 0018
TIMTEC-BB SBB005796
1-(3-Bromophenyl)methanamine
3-Bromobenzenemethanamine
[Molecular Formula]

C7H8BrN
[MDL Number]

MFCD01026119
[Molecular Weight]

186.05
[MOL File]

10269-01-9.mol
Questions And AnswerBack Directory
[Synthesis]

In a 100 mL single-necked flask, add m-bromobenzyl azide (5 mmol, 1.06 g) and chloroform (25 mL) as solvent. Under argon protection, add 25 mL of dichloromethane solution containing boron tribromide (18 mmol, 4.50 g) dropwise at 2 °C. After the addition is complete, react at 45 °C for 14 h. After the reaction is complete, quench with ethanol (25 mL) for 0.5 h. The reaction solution becomes clear. The reaction solution is concentrated by rotary evaporation and then recrystallized from methanol/ether to obtain the white target product with a yield of 84% (0.781 g).

Melting point: 252-254℃; 1HNMR (500MHz, CDCl3)δ7.45(s,1H),7.38(d,J=8.0,1H),7.23(d,J=7.5 ,1H),7.16(t,J=7.5,1H),3.80(s,2H),2.85(bs,2H);13CNMR(125MHz,CDCl3)δ144.0, 130.2,126.1,122.7,45.3; HRMS(ESI)calcdforC7H8BrN[M+H]+:184.98401; found: 184.98389.
Synthesis of 10269-01-9

Chemical PropertiesBack Directory
[Appearance]

clear yellow liquid
[Boiling point ]

245°C(lit.)
[density ]

1.48g/ml
[refractive index ]

1.584-1.586
[storage temp. ]

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

Liquid
[pka]

8.77±0.10(Predicted)
[color ]

Clear colorless to yellow
[Water Solubility ]

Slightly soluble in water.
[Sensitive ]

Air Sensitive
[InChI]

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

SUYJXERPRICYRX-UHFFFAOYSA-N
[SMILES]

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

10269-01-9(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H318-H314
[Precautionary statements ]

P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a
[Hazard Codes ]

C
[Risk Statements ]

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

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 .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN2735
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29214900
Hazard InformationBack Directory
[Chemical Properties]

clear yellow liquid
[Uses]

3-Bromobenzylamine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agro chemicals, dyestuff.
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Bromobenzylamine, 99%(10269-01-9)
[Alfa Aesar]

3-Bromobenzylamine, 97%(10269-01-9)
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