CAS No.14192-12-2,2,5-DIIODOBENZOIC ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	14192-12-2
Name:	2,5-DIIODOBENZOIC ACID
Article Data:	2

Formula:	C₇H₄I₂O₂
Molecular Weight:	373.917
Synonyms:	NSC 97505;
Density:	2.559 g/cm³
Melting Point:	183-187 °C(lit.)
Boiling Point:	391.753 °C at 760 mmHg
Flash Point:	190.726 °C
Appearance:	white powder
Hazard Symbols:	Xn,Xi
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	37.30000
LogP:	2.59400

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Specification

This chemical is called Benzoic acid, 2,5-diiodo-, and its systematic name is 2,5-diiodobenzoic acid. With the molecular formula of C₇H₄I₂O₂, its molecular weight is 373.91. The CAS registry number of this chemical is 14192-12-2. Additionally, its product categories are Benzoic acid; Acids & Esters; Iodine Compounds; C7; Carbonyl Compounds; Carboxylic Acids.

Other characteristics of the Benzoic acid, 2,5-diiodo- can be summarised as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.28; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 58.99 cm³; (15)Molar Volume: 146.1 cm³; (16)Polarizability: 23.38×10^-24cm³; (17)Surface Tension: 68.6 dyne/cm; (18)Density: 2.559 g/cm³; (19)Flash Point: 190.7 °C; (20)Enthalpy of Vaporization: 67.65 kJ/mol; (21)Boiling Point: 391.8 °C at 760 mmHg; (22)Vapour Pressure: 7.7E-07 mmHg at 25°C.

Uses of this chemical: The Benzoic acid, 2,5-diiodo- could react with methanol, and obtain the 2,5-diiodo-benzoic acid methyl ester. This reaction needs the reagent of SOCl₂. The yield is 95 %.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cc(I)ccc1I
2.InChI: InChI=1/C7H4I2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
3.InChIKey: NSKPFWAAYDFCFS-UHFFFAOYAT

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	50mg/kg (50mg/kg)		Journal of Organic Chemistry. Vol. 22, Pg. 1686, 1957.
mouse	LD50	oral	1500mg/kg (1500mg/kg)		Pharmazie. Vol. 12, Pg. 415, 1957. Link to PubMed