Iminodiacetic acid
- Iupac Name：2-(carboxymethylamino)acetic acid
- CAS No.: 142-73-4
- Molecular Weight：133.103
- Modify Date.: 2022-11-02 15:01
- Introduction:
Has been suggested as intermediate in manufacture of complex salts, chelating agents.
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1. Names and Identifiers
- 1.1 Name
- Iminodiacetic acid
- 1.2 Synonyms
2-(carboxymethylamino)acetic acid 2,2’-iminobis-aceticaci 2,2’-iminodiaceticacid 2,2'-Azanediyldiacetic acid 2,2'-Iminodiacetic acid Acetic acid, 2,2'-iminobis- Acetic acid, iminodi- aminodiacetic Aminodiacetic acid Aminodiaceticacid diglycine EINECS 205-555-4 Glycine, N-(carboxymethyl)- IDA MFCD00004280 N-(carboxymethyl)- glycine
- 1.3 CAS No.
- 142-73-4
- 1.4 CID
- 8897
- 1.5 EINECS(EC#)
- 205-555-4
- 1.6 Molecular Formula
- C4H7NO4 (isomer)
- 1.7 Inchi
- InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)
- 1.8 InChkey
- NBZBKCUXIYYUSX-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C(C(=O)O)NCC(=O)O
- 1.10 Isomers Smiles
- C(C(=O)O)NCC(=O)O
2. Properties
- 2.1 Density
- 1.436
- 2.1 Melting point
- 243℃
- 2.1 Boiling point
- 370.6 °C at 760 mmHg
- 2.1 Refractive index
- 1.501
- 2.1 Flash Point
- 177.9 °C
- 2.1 Precise Quality
- 133.03800
- 2.1 PSA
- 86.63000
- 2.1 logP
- -0.86390
- 2.1 Solubility
- 42g/l
- 2.2 Appearance
- White crystal
- 2.3 Storage
- Ambient temperatures.
- 2.4 Chemical Properties
- white or yellowish crystalline powder
- 2.5 Color/Form
- ORTHORHOMBIC CRYSTALS
- 2.6 PH
- 2.2-2.3 (H2O, 20℃)(saturated solution)
- 2.7 Physical
- DryPowder
- 2.8 pKa
- 2.98, 9.89(at 25℃)
- 2.9 Water Solubility
- 2.43 g/100 mL (5 oC)
- 2.10 Spectral Properties
- SADTLER REF NUMBER: 10591 (IR, PRISM)
- 2.11 Stability
- Stable at room temperature in closed containers under normal storage and handling conditions.
- 2.12 StorageTemp
- Store below +30°C.
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: An amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group.
- 3.2 GHS Classification
- Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 137 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
H315 (43.8%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (80.29%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (43.07%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H412 (19.71%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.
Precautionary Statement Codes
P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
- 3.3 Methods of Manufacturing
- HYDROGENATION OF NITRILOTRIACETIC ACID; IN PRESENCE OF PALLADIUM/CARBON; CATALYST; AMMONOLYSIS OF CHLOROACETIC ACID;
- 3.4 Purification Methods
- Crystallise the acid several times from water. The N-Methyl derivative m 215o is purified by dissolving it in an equal weight of warm H2O and adding 3 volumes of MeOH [Kiematsu et al. Org Synth Coll Vol II 397 1943]. [Laberek & Martell J Am Chem Soc 74 5052 1952, Beilstein 4 III 2428, 4 IV 1176.] Iminodiacetic acid Preparation Products And Raw materials Raw materials
- 3.5 Usage
-
Has been suggested as intermediate in manufacture of complex salts, chelating agents.
4. Safety and Handling
- 4.1 Symbol
- GHS07;
- 4.1 Hazard Codes
- Xi
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- R36/37/38
- 4.1 Safety Statements
- S26;S37/39
- 4.1 Hazard Declaration
- H315; H319; H335
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 Caution Statement
- P261-P305 + P351 + P338
- 4.1 WGK Germany
- 1
- 4.1 RTECS
- AI2975000
- 4.1 Report
-
Reported in EPA TSCA Inventory.
- 4.2 Safety
-
Poison by intraperitoneal route. When heated to decomposition it emits toxic fumes of NOx.
Safety information of Iminodiacetic acid (142-73-4):
Hazard Codes? 
Xi
Risk Statements? 36/37/38
R36/37/38: Irritating to eyes, respiratory system and skin?
Safety Statements? 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection?
WGK Germany? 1
RTECS? AI2975000
HS Code? 29224995
- 4.3 Toxicity
-
| 1. |
??? |
ipr-mus LD50:250?mg/kg
|
??? |
NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 . |
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Eye irritation, Category 2
2.2 GHS label elements, including precautionary statements
| Pictogram(s) |  |
| Signal word | Warning |
| Hazard statement(s) | H319 Causes serious eye irritation |
| Precautionary statement(s) | |
| Prevention | P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
| Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
142-73-4Total: 11 Synthesis Route
9. Other Information
- 9.0 Usage
- Iminoacetic acid is used as an inhibitor of bovine liver glutamate dehydrogenase. It is used as a reagent in the synthesis of poly(N-isopropylacrylamide) (PNIPAM) microgel particles for metal affinity binding of peptides. It is mainly used for modulating peptide mobility by capillary electrophoresis. It is also used in chemotherapeutic treatment for metal poisoning. It acts as a tridendate ligand and forms metal complexes.
- 9.1 Merck
- 14,4917
- 9.2 BRN
- 878499
- 9.3 Chemical Properties
- white or yellowish crystalline powder
- 9.4 Uses
-
Iminodiacetic acid can be used:
- In the preparation of iminodiacetic acid (IDA)-type adsorbent for protein purification.
- As a catalyst along with iron (FeCl3) complexes for methyl methacrylate (MMA) polymerization.
- In the preparation of chelating resins with glycidyl methacrylate for the selective removal and recovery of metal ions from industrial waste water.
- As a reagent for the preparation of pinene-derived iminodiacetic acid (PIDA), which is in turn used as a ligand for the synthesis of diastereoselective oxiranyl C(sp3) boronates from the corresponding olefins.
- In the surface functionalization of multi-walled carbon nanotubes (MWCNTs) which is further utilized as a sorbent for the separation of heavy metal ions.
10. Computational chemical data
- Molecular Weight: 133.103g/mol
- Molecular Formula: C4H7NO4
- Compound Is Canonicalized: True
- XLogP3-AA: -3.3
- Exact Mass: 133.03750770
- Monoisotopic Mass: 133.03750770
- Complexity: 108
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 86.6
- Heavy Atom Count: 9
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcYBiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADBgAQACALAAgAIAACQCAAAAAAAAAAAAICIAAACAAAAACAAAAAAAACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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