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

Benzoic acid, 4-(hydroxymethyl)-3-nitro-

Related Products

Hot Products

Name

Benzoic acid, 4-(hydroxymethyl)-3-nitro-

EINECS N/A
CAS No. 82379-38-2 Density 1.544 g/cm3
PSA 103.35000 LogP 1.30850
Solubility N/A Melting Point N/A
Formula C8H7NO5 Boiling Point 412.9 °C at 760 mmHg
Molecular Weight 197.147 Flash Point 186.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 82379-38-2 (4-HYDROXYMETHYL-3-NITROBENZOIC ACID) Hazard Symbols N/A
Synonyms

4-Hydroxymethyl-3-nitrobenzoic acid;

Article Data 24

Benzoic acid, 4-(hydroxymethyl)-3-nitro- Specification

The Benzoic acid, 4-(hydroxymethyl)-3-nitro-, with the CAS registry number 82379-38-2, is also known as 4-Hydroxymethyl-3-nitrobenzoic acid. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H7NO5 and molecular weight is 197.14. What's more, both its IUPAC name and systematic name are the same which is called 4-(Hydroxymethyl)-3-nitrobenzoic acid.

Physical properties about Benzoic acid, 4-(hydroxymethyl)-3-nitro- are: (1)ACD/LogP: 0.64; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.41; (4)ACD/LogD (pH 7.4): -2.45; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.35 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 46.17 cm3; (15)Molar Volume: 127.6 cm3; (16)Polarizability: 18.3×10-24 cm3; (17)Surface Tension: 77.3 dyne/cm; (18)Density: 1.544 g/cm3; (19)Flash Point: 186.8 °C; (20)Enthalpy of Vaporization: 70.18 kJ/mol; (21)Boiling Point: 412.9 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc(ccc1CO)C(=O)O
(2) InChI: InChI=1/C8H7NO5/c10-4-6-2-1-5(8(11)12)3-7(6)9(13)14/h1-3,10H,4H2,(H,11,12)
(3) InChIKey: KUOYLJCVVIDGBZ-UHFFFAOYAC

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 82379-38-2