| Identification | More | [Name]
3,4-Dichlorobenzylamine | [CAS]
102-49-8 | [Synonyms]
3,4-DICHLOROBENZYLAMINE
RARECHEM AL BW 0352
3,4-dichloro-benzenemethanamin
3,4-DICHLOROBENZYLAMINE 98%
(3,4-dichlorophenyl)methanamine
((3,4-Dichlorophenyl)methyl)amine
3,4-Dichlorobenzenemethanamine
Benzenemethanol, alpha-cyclopropyl-4-fluoro- | [EINECS(EC#)]
203-035-1 | [Molecular Formula]
C7H7Cl2N | [MDL Number]
MFCD00008114 | [Molecular Weight]
176.04 | [MOL File]
102-49-8.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to light yellow liquid | [Melting point ]
332-333 °C(Solv: N,N-dimethylformamide (68-12-2)) | [Boiling point ]
80-82 °C (0.6 mmHg) | [density ]
1.32 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.578(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,2-8°C | [form ]
Liquid | [pka]
8.56±0.10(Predicted) | [color ]
Clear colorless to light yellow | [Specific Gravity]
1.322 | [Sensitive ]
Air Sensitive | [BRN ]
508818 | [InChI]
1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2 | [InChIKey]
IXHNFOOSLAWRBQ-UHFFFAOYSA-N | [SMILES]
NCc1ccc(Cl)c(Cl)c1 | [CAS DataBase Reference]
102-49-8(CAS DataBase Reference) | [Storage Precautions]
Store under nitrogen | [EPA Substance Registry System]
102-49-8(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C,Xi | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
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 2735 8/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Irritant/Air Sensitive | [TSCA ]
Yes | [HazardClass ]
8 | [PackingGroup ]
III | [HS Code ]
29214990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Eye Dam. 1
Skin Corr. 1B |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to light yellow liquid | [Uses]
3,4-Dichlorobenzylamine is a benzylamine compound. Benzylamines are a class of small-molecule compounds with simple structures, widely present in the biological world, with extremely important physiological and pharmacological activities, and are widely used in the research and development of antibacterial drugs. For example, the antifungal drugs terbinafine and butenafine all have the structure of benzylamine. | [Synthesis]
Using 3,4-dichlorobenzyl azide (5 mmol, 1.01 g) as raw material, dichloromethane (25 mL) was added to a 100 mL reaction flask and a dichloromethane (25 mL) solution of boron tribromide (20 mmol, 5.00 g) was slowly added dropwise under nitrogen protection. After the dropwise addition, the reaction was stirred at 25 °C for 6 hours. Upon completion of the reaction, the reaction was quenched by the addition of methanol (25 mL) and stirring was continued for 0.5 hours. After the reaction solution was clarified, the reaction solution was concentrated by rotary evaporator. The resulting crude product was recrystallized using a mixed solvent of methanol/ether to give the title compound 3,4-dichlorobenzylamine in white solid form in 89% yield (0.778 g). | [References]
[1] Patent: CN108409580, 2018, A. Location in patent: Paragraph 0044; 0045; 0046 |
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