CAS No.133-91-5,3,5-Diiodosalicylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133-91-5
Name:	3,5-Diiodosalicylic acid
Article Data:	33

Formula:	C₇H₄I₂O₃
Molecular Weight:	389.916
Synonyms:	Salicylicacid, 3,5-diiodo- (6CI,7CI,8CI);2-Hydroxy-3,5-diiodobenzenecarboxylic acid;2-Hydroxy-3,5-diiodobenzoic acid;3,5-Diiodo-2-hydroxybenzoic acid;NSC 6303;Benzoicacid, 2-hydroxy-3,5-diiodo-;
EINECS:	205-124-0
Density:	2.697 g/cm³
Melting Point:	220-230 °C (dec.)(lit.)
Boiling Point:	380.8 °C at 760 mmHg
Flash Point:	184.1 °C
Solubility:	0.02 g/100mL (25 °C) in water
Appearance:	Off-white to beige or grey powder
Hazard Symbols:	Xn,Xi
Risk Codes:	20/21/22-36/37/38-22
Safety:	26-36-37/39
PSA:	57.53000
LogP:	2.29960

Synthetic route

: 69-72-7
salicylic acid

: 133-91-5
3,5-diiodosalicylic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; iodine; trichloroacetic acid In methanol at 45 - 66℃; for 6h;	95.9%
With N-iodo-succinimide In water; acetonitrile at 25 - 30℃; for 0.333333h;	95%
With sodium hydrogencarbonate; N,N,N-trimethylbenzenemethanaminium dichloroiodate In methanol; dichloromethane for 7h; Ambient temperature;	91%

: 2631-77-8
3,5-diodosalicylaldehyde

: 133-91-5
3,5-diiodosalicylic acid

Conditions

Conditions	Yield
With permanganate(VII) ion; acetone

: 119-30-2
2-hydroxy-5-iodobenzoic acid

: 133-91-5
3,5-diiodosalicylic acid

: 520-79-6
2-hydroxy-3-iodobenzoic acid

: 133-91-5
3,5-diiodosalicylic acid

: 528-93-8, 14800-64-7
silver salicylate

: 133-91-5
3,5-diiodosalicylic acid

Conditions

Conditions	Yield
With iodine

: 69-72-7
salicylic acid

A: 119-30-2
2-hydroxy-5-iodobenzoic acid

B: 133-91-5
3,5-diiodosalicylic acid

Conditions

Conditions	Yield
With ethanol; iodine

: 3-acetyl-6,8-diiodo-chroman-2,4-dione

KOH-solution: KOH-solution

: 133-91-5
3,5-diiodosalicylic acid

: 6,8-diiodo-2,4-dioxo-chroman-3-carbonitrile

KOH-solution: KOH-solution

: 133-91-5
3,5-diiodosalicylic acid

: 6,8-diiodo-2,4-dioxo-chroman-3-carboxylic acid ethyl ester

KOH-solution: KOH-solution

: 133-91-5
3,5-diiodosalicylic acid

: 64-17-5
ethanol

: 7553-56-2
iodine

: 69-72-7
salicylic acid

A: 119-30-2
2-hydroxy-5-iodobenzoic acid

B: 520-79-6
2-hydroxy-3-iodobenzoic acid

C: 133-91-5
3,5-diiodosalicylic acid

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Chemistry

Molecular Structure of 3,5-Diiodosalicylic acid (CAS NO.133-91-5):

IUPAC Name: 2-Hydroxy-3,5-diiodobenzoic acid
Canonical SMILES: C1=C(C=C(C(=C1I)O)C(=O)O)I
InChI: InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChIKey: DHZVWQPHNWDCFS-UHFFFAOYSA-N
Molecular Weight: 389.9138 [g/mol]
Molecular Formula: C₇H₄I₂O₃
XLogP3: 4.6
H-Bond Donor: 2
H-Bond Acceptor: 3
EINECS: 205-124-0
Index of Refraction: 1.784
Molar Refractivity: 60.87 cm³
Molar Volume: 144.5 cm³
Surface Tension: 82.5 dyne/cm
Density: 2.697 g/cm³
Flash Point: 184.1 °C
Enthalpy of Vaporization: 66.35 kJ/mol
Boiling Point: 380.8 °C at 760 mmHg
Vapour Pressure: 1.77E-06 mmHg at 25 °C
Appearance: Off-white to beige or grey powder
Melting Point: 220-230 °C (dec.)(lit.)
Water Solubility: 0.02 g/100mL (25 °C)
Sensitive: Light Sensitive
Classification Code: Agricultural Chemical; Drug / Therapeutic Agent; Experimental pesticide; Unspecified / Unclassified pesticide
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids

Uses

3,5-Diiodosalicylic acid (CAS NO.133-91-5) is used as an intermediate for veterinary anthelmintic agents (closentel and rafoxanide). It is also used as food source of iodine.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	450mg/kg (450mg/kg)		Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946.
rat	LDLo	oral	500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 8, 1953.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of 3,5-Diiodosalicylic acid (CAS NO.133-91-5):
Hazard Codes : Harmful Xn, Irritant Xi
Risk Statements : 20/21/22-36/37/38-22
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements : 26-36-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany : 3
RTECS : VO2800000
F : 8 (Photosensitive)
Moderately toxic by ingestion. A trace mineral added to animal feeds. When heated to decomposition it emits toxic fumes of I⁻.

Standards and Recommendations

ASSAY: 99.0% min
MOISTURE: 0.5% max
ASH: 0.5% max

Specification

3,5-Diiodosalicylic acid (CAS NO.133-91-5), its Synonyms are 2-Hydroxy-3,5-diiodobenzenecarboxylic acid ; 2-Hydroxy-3,5-diiodobenzoate ; 2-Hydroxy-3,5-diiodobenzoic acid ; 3,5-Diiodo-2-hydroxybenzoic acid ; 3,5-Diiodosalicylate ; Benzoic acid, 3,5-diiodo-2-hydroxy- ; Salicylic acid, 3,5-diiodo- .