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| CAS No.: | 5326-47-6 |
|---|---|
| Name: | 2-Amino-5-iodobenzoic acid |
| Molecular Structure: | |
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|
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| Formula: | C7H6INO2 |
| Molecular Weight: | 263.035 |
| Synonyms: | Anthranilicacid, 5-iodo- (6CI,8CI);5-Iodo-2-aminobenzoicacid;5-Iodoanthranilic acid;NSC 302;2-Amino-5-iodo-benzoic acid;Benzoicacid, 2-amino-5-iodo-; |
| EINECS: | 226-205-7 |
| Density: | 2.082 g/cm3 |
| Melting Point: | 219-221 °C |
| Boiling Point: | 383.2 °C at 760 mmHg |
| Flash Point: | 185.6 °C |
| Solubility: | Soluble in alcohol. Insoluble in water. |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 63.32000 |
| LogP: | 2.15280 |
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Specification
1. Introduction of 2-Amino-5-iodobenzoic acid
2-Amino-5-iodobenzoic acid is one kind of white to light yellow crystal powder. Its IUPAC name is 2-Amino-5-iodobenzoic acid is 2-amino-5-iodobenzoic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Carboxylic Acids; Phenyls & Phenyl-Het; Benzoic acid; Organic acids; API intermediates; Acids & Esters; Anilines, Amides & Amines; Iodine Compounds; Carboxylic Acids; Phenyls & Phenyl-Het. It should be stored in closed, dark, cool and dry place. In addition, this chemical is light sensitive. In addition, this chemical is light sensitive.
The other characteristics of this product can be summarized as:Preparation of 2-Amino-5-iodobenzoic acid: the chemical can be prepared by iodinating Anthranilic acid. You can add 5 °C Iodine monochloride solution in 20 °C water solution of Anthranilic acid hydrochloride with stirring quickly. And then please dissolve the granulous sediment of 2-amino-5-iodobenzoic acid out. Finally, please purify crude product which is filtered.
2. Properties of 2-Amino-5-iodobenzoic acid
Physical properties about 2-Amino-5-iodobenzoic acid are:
(1)EINECS: 226-205-7; (2)ACD/LogP: 2.79; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 1.48; (5)ACD/LogD (pH 7.4): -0.08; (6)ACD/BCF (pH 5.5): 3.79; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 38.26; (9)ACD/KOC (pH 7.4): 1.06; (10)H bond acceptors: 3; (11)H bond donors: 3; (12)Freely Rotating Bonds: 2; (13)Index of Refraction: 1.728; (14)Molar Refractivity: 50.32 cm3; (15)Molar Volume: 126.3 cm3; (16)Surface Tension: 74.2 dyne/cm; (17)Density: 2.082 g/cm3; (18)Flash Point: 185.6 °C; (19)Melting point: 219-221 °C; (20)Enthalpy of Vaporization: 66.64 kJ/mol; (21)Boiling Point: 383.2 °C at 760 mmHg; (22)Vapour Pressure: 1.47E-06 mmHg at 25 °C.
3. Structure Descriptors of 2-Amino-5-iodobenzoic acid
(1)SMILES:O=C(O)c1cc(I)ccc1N
(2)InChI:InChI=1/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
(3)InChIKey:GOLGILSVWFKZRQ-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
(5)Std. InChIKey:GOLGILSVWFKZRQ-UHFFFAOYSA-N
4. Toxicity of 2-Amino-5-iodobenzoic acid
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | intraperitoneal | > 1gm/kg (1000mg/kg) | Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 443, 1979. |
5. Safety information of 2-Amino-5-iodobenzoic acid
Hazard Codes:
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Xi Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36-37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: DG2802000
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT, LIGHT SENSITIVE
HS Code: 29224995
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.
6. Use of 2-Amino-5-iodobenzoic acid
this chemical is used in organic synthesis. Additionally, it can react with Benzoyl chloride to get 6-Iodo-2-phenyl-benzo[d][1,3]oxazin-4-one. This reaction needs Pyridine. The yield is 68 %.
