CAS No.16588-06-0,4-CHLORO-3-NITROBENZAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16588-06-0
Name:	4-CHLORO-3-NITROBENZAMIDE
Article Data:	16

Formula:	C₇H₅ClN₂O₃
Molecular Weight:	200.581
Synonyms:	3-Nitro-4-chlorobenzamide;4-Chloro-3-nitrobenzamide;NSC 127825;BUTTPARK 121\15-25;
EINECS:	240-644-1
Density:	1.52 g/cm³
Melting Point:	148-150 °C
Boiling Point:	315.6 °C at 760 mmHg
Flash Point:	144.7 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	88.91000
LogP:	2.57060

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Specification

The CAS register number of Benzamide,4-chloro-3-nitro- is 16588-06-0. It also can be called as 3-Nitro-4-chlorobenzamide and the IUPAC name about this chemical is 4-chloro-3-nitrobenzamide. The molecular formula about this chemical is C₇H₅ClN₂O₃ and the molecular weight is 200.58. It belongs to the following product categories which include Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts and so on.

Physical properties about Benzamide,4-chloro-3-nitro- are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.24; (3)ACD/LogD (pH 7.4): 1.24; (4)ACD/BCF (pH 5.5): 5.13; (5)ACD/BCF (pH 7.4): 5.13; (6)ACD/KOC (pH 5.5): 112.18; (7)ACD/KOC (pH 7.4): 112.18; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 66.13 Å²; (12)Index of Refraction: 1.624; (13)Molar Refractivity: 46.62 cm³; (14)Molar Volume: 131.9 cm³; (15)Polarizability: 18.48x10^-24cm³; (16)Surface Tension: 63.9 dyne/cm; (17)Density: 1.52 g/cm³; (18)Flash Point: 144.7 °C; (19)Enthalpy of Vaporization: 55.69 kJ/mol; (20)Boiling Point: 315.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000432 mmHg at 25 °C.

Uses of Benzamide,4-chloro-3-nitro-: it can be used to produce 4-chloro-3-nitro-benzonitrile. This reaction will need reagent of phosphorus oxychloride. The reaction temperature is 170 °C.

Benzamide,4-chloro-3-nitro- can be used to produce 4-chloro-3-nitro-benzonitrile.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. It is stable under normal temperature and pressure. If you want to store it, you should keep the container tightly sealed in dry, cool places and avoid contact with oxide.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1Cl)C(=O)N
(2)InChI: InChI=1/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
(3)InChIKey: CGXRJCDXGJRBHV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H5ClN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
(5)Std. InChIKey: CGXRJCDXGJRBHV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	2570mg/kg (2570mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 576, 1986.