Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-(4-Chloro-3-nitrobenzoyl)benzoic acid

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

2-(4-Chloro-3-nitrobenzoyl)benzoic acid

EINECS 201-613-8
CAS No. 85-54-1 Density 1.499 g/cm3
PSA 100.19000 LogP 3.70060
Solubility N/A Melting Point 198-201 °C
Formula C14H8ClNO5 Boiling Point 548.4 °C at 760 mmHg
Molecular Weight 305.674 Flash Point 285.4 °C
Transport Information N/A Appearance crystalline powder
Safety 26-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 85-54-1 (2-(4-Chloro-3-nitrobenzoyl)benzoic acid) Hazard Symbols IrritantXi
Synonyms

Benzoicacid, o-(4-chloro-3-nitrobenzoyl)- (7CI,8CI);2-(3-Nitro-4-chlorobenzoyl)benzoic acid;2-(4-Chloro-3-nitrobenzoyl)benzoicacid;2-(4'-Chloro-3'-nitrobenzoyl)benzoic acid;2-[(4-Chloro-3-nitrophenyl)carbonyl]benzoic acid;3'-Nitro-4'-chlorobenzoylbenzoic acid;4-Chloro-3-nitrobenzophenone-2'-carboxylic acid;NSC 15366;

 

2-(4-Chloro-3-nitrobenzoyl)benzoic acid Specification

The IUPAC name of 2-(4-Chloro-3-nitrobenzoyl)benzoic acid is 2-(4-chloro-3-nitrobenzoyl)benzoic acid. With the CAS registry number 85-54-1, it is also named as Benzoic acid, 2-(4-chloro-3-nitrobenzoyl)-. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic Acids; C13 to C42+; Carbonyl Compounds; Carboxylic Acids. Besides, it should be stored in sealed, cool and dry place. In addition, its molecular formula is C14H8ClNO5 and molecular weight is 305.67.

The other characteristics of this product can be summarized as: (1)EINECS: 201-613-8; (2)ACD/LogP: 2.65; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.36; (5)ACD/LogD (pH 7.4): -0.47; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 3.37; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 6; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 4; (13)Index of Refraction: 1.65; (14)Molar Refractivity: 74.41 cm3; (15)Molar Volume: 203.8 cm3; (16)Surface Tension: 65.6 dyne/cm; (17)Density: 1.499 g/cm3; (18)Flash Point: 285.4 °C; (19)Melting Point: 198-201 °C; (20)Enthalpy of Vaporization: 87.13 kJ/mol; (21)Boiling Point: 548.4 °C at 760 mmHg; (22)Vapour Pressure: 7.37E-13 mmHg at 25 °C.

Preparation and Uses of 2-(4-Chloro-3-nitrobenzoyl)benzoic acid: this chemical can be prepared by the nitration of 2-(4-Chlorobenzoyl)benzoic acid. Furthermore, this chemical can be used as intermediate of pharmaceutical and dyes. Similarly, it can be used to produce Chlorthalidone, Vat Blue BC.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=[N+]([O-])c1cc(ccc1Cl)C(=O)c2ccccc2C(=O)O
(2)InChI: InChI=1/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
(3)InChIKey: RITAQDHCJBLSSL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C14H8ClNO5/c15-11-6-5-8(7-12(11)16(20)21)13(17)9-3-1-2-4-10(9)14(18)19/h1-7H,(H,18,19)
(5)Std. InChIKey: RITAQDHCJBLSSL-UHFFFAOYSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 85-54-1