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| CAS No.: | 95-00-1 |
|---|---|
| Name: | 2,4-Dichlorobenzylamine |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C7H7Cl2N |
| Molecular Weight: | 176.045 |
| Synonyms: | Benzylamine,2,4-dichloro- (6CI,8CI);((2,4-Dichlorophenyl)methyl)amine;(2,4-Dichlorophenyl)methanamine;1-(2,4-Dichlorophenyl)methanamine;2,4-Dichlorobenzenemethanamine;NSC 25064;o,p-Dichlorobenzylamine; |
| EINECS: | 202-382-6 |
| Density: | 1.32 g/cm3 |
| Melting Point: | 309-311 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Boiling Point: | 221.6 °C at 760 mmHg |
| Flash Point: | 105.8 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34-36/37/38 |
| Safety: | 26-36/37/39-45-24/25-23 |
| Transport Information: | UN 2735 8/PG 3 |
| PSA: | 26.02000 |
| LogP: | 3.15240 |
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Specification
The 2,4-Dichlorobenzylamine is an organic compound with the formula C7H7Cl2N. The IUPAC name of this chemical is (2,4-dichlorophenyl)methanamine. With the CAS registry number 95-00-1, it is also named as Benzylamine, 2,4-dichloro-. The product's categories are Anilines, Aromatic Amines and Nitro Compounds; Amines; C7; Nitrogen Compounds. Besides, it is clear colourless liquid, which should be stored in a closed cool and dry place. It is used as organic reagents and pharmaceutical intermediates.
Physical properties about 2,4-Dichlorobenzylamine are: (1)ACD/LogP: 2.29 ; (2)ACD/LogD (pH 5.5): -0.56; (3)ACD/LogD (pH 7.4): 0.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.52; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 19.66; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 44.49 cm3; (14)Molar Volume: 133.3 cm3; (15)Polarizability: 17.63×10-24cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.32 g/cm3; (18)Flash Point: 105.8 °C; (19)Enthalpy of Vaporization: 45.81 kJ/mol; (20)Boiling Point: 221.6 °C at 760 mmHg; (21)Vapour Pressure: 0.106 mmHg at 25°C.
Uses of 2,4-Dichlorobenzylamine: it can be used to produce 2-amino-N-(2,4-dichloro-benzyl)-benzamide at ambient temperature. It will need solvent ethanol with reaction time of 2 hours. The yield is about 80%.
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When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(Cl)ccc1CN
(2)InChI: InChI=1/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
(3)InChIKey: SJUKJZSTBBSGHF-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2
(5)Std. InChIKey: SJUKJZSTBBSGHF-UHFFFAOYSA-N