Benzoic acid,2-amino-3-iodo-4-methyl- supplier

Name
2-amino-3-iodo-4-methylbenzoic acid
EINECS
CAS No. 882679-23-4
Article Data1
CAS DataBase
Density 1.943 g/cm³
Solubility
Melting Point
Formula C₈H₈INO₂
Boiling Point 380.9 °C at 760 mmHg
Molecular Weight 277.062
Flash Point 184.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-amino-3-iodo-4-methylbenzoic acid
PSA 63.32000
LogP 2.46120

Benzoic acid,2-amino-3-iodo-4-methyl- Specification

This chemical is called Benzoic acid, 2-amino-3-iodo-4-methyl-, and its systematic name is 2-Amino-3-iodo-4-methyl-benzoic acid. With the molecular formula of C₈H₈INO₂, its molecular weight is 277.06. The CAS registry number of this chemical is 882679-23-4.

Other characteristics of the Benzoic acid, 2-amino-3-iodo-4-methyl- can be summarised as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 0.44 ; (5)#H bond acceptors: 3; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 63.32 Å²; (9)Index of Refraction: 1.7; (10)Molar Refractivity: 55.15 cm³; (11)Molar Volume: 142.5 cm³; (12)Polarizability: 21.86×10^-24cm³; (13)Surface Tension: 67.3 dyne/cm; (14)Density: 1.943 g/cm³; (15)Flash Point: 184.2 °C; (16)Enthalpy of Vaporization: 66.36 kJ/mol; (17)Boiling Point: 380.9 °C at 760 mmHg; (18)Vapour Pressure: 1.75E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(c(c1I)N)C(=O)O
2.InChI: InChI=1/C8H8INO2/c1-4-2-3-5(8(11)12)7(10)6(4)9/h2-3H,10H2,1H3,(H,11,12)
3.InChIKey: KUPHXIFBKAORGY-UHFFFAOYAZ

Product Name

2-amino-3-iodo-4-methylbenzoic acid

Benzoic acid,2-amino-3-iodo-4-methyl- Specification

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