CAS No.610-57-1,2,4-DINITROBENZYL CHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	610-57-1
Name:	2,4-DINITROBENZYL CHLORIDE
Article Data:	8

Formula:	C₇H₅ClN₂O₄
Molecular Weight:	216.581
Synonyms:	2,4-Dinitrobenzyl Chloride;1-(Chloromethyl)-2,4-dinitrobenzene;α-Chloro-2,4-dinitrotoluene;
EINECS:	610-57-1
Density:	1.538 g/cm³
Melting Point:	34-36 °C(lit.)
Boiling Point:	349.8 °C at 760 mmHg
Flash Point:	165.4 °C
Hazard Symbols:	C
Risk Codes:	34-36/37
Safety:	26-27-28-36/37/39-45
PSA:	91.64000
LogP:	3.28820

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Specification

The Benzene,1-(chloromethyl)-2,4-dinitro-, with the CAS registry number 610-57-1, is also known as 2,4-Dinitrobenzyl Chloride. Its EINECS number is 210-230-5. This chemical's molecular formula is C₇H₅ClN₂O₄ and molecular weight is 216.58. What's more, its systematic name is 1-(chloromethyl)-2,4-dinitrobenzene.

Physical properties of Benzene,1-(chloromethyl)-2,4-dinitro- are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.94; (6)ACD/BCF (pH 7.4): 15.94; (7)ACD/KOC (pH 5.5): 252.59; (8)ACD/KOC (pH 7.4): 252.59; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 91.64 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 49.1 cm³; (15)Molar Volume: 140.8 cm³; (16)Polarizability: 19.46×10^-24cm³; (17)Surface Tension: 60.9 dyne/cm; (18)Density: 1.538 g/cm³; (19)Flash Point: 165.4 °C; (20)Enthalpy of Vaporization: 57.09 kJ/mol; (21)Boiling Point: 349.8 °C at 760 mmHg; (22)Vapour Pressure: 9.24E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloromethyl-4-nitro-benzene at the temperature of 0°C. This reaction will need reagents HNO₃, H₂SO₄. The reaction time is 30 min. The yield is about 81%.

Benzene,1-(chloromethyl)-2,4-dinitro- can be prepared by 1-chloromethyl-4-nitro-benzene at the temperature of 0°C

Uses of Benzene,1-(chloromethyl)-2,4-dinitro-: it can be used to produce 1-methylsulfanylmethyl-2,4-dinitro-benzene at the temperature of 0°C. It will need solvent methanol with the reaction time of 15 min. The yield is about 68%.

Benzene,1-(chloromethyl)-2,4-dinitro- can be used to produce 1-methylsulfanylmethyl-2,4-dinitro-benzene at the temperature of 0°C

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact. It may also causes burns. What's more, it is irritating to eyes, respiratory system. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should take off immediately all contaminated clothing. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer). When using it, you need wear suitable protective clothing, gloves and eye/face protection. At last, 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: ClCc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C7H5ClN2O4/c8-4-5-1-2-6(9(11)12)3-7(5)10(13)14/h1-3H,4H2
(3)Std. InChIKey: DARDYTBLZQDXBK-UHFFFAOYSA-N