Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
나이트릴로트라이아세트산
나이트릴로트라이아세트산 · 나이트릴로트라이아세트산(나이트릴로트리아세트산) · 니트릴로트리아세트산 · 아미노트리아세트산 · NTA · TRIGLYCINE · NITRILOTRIACETATE · Nitrilotriacetic
식별자 및 물리적 특성
| CAS No. | 139-13-9 |
|---|---|
| 분자식 | C6H9NO6 |
| 평균 분자량 | 191.14 g/mol |
| 단동위원소 질량 | 191.04298701 g/mol |
| SMILES | O=C(O)CN(CC(=O)O)CC(=O)O |
| InChIKey | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
| PubChem CID | 8758 |
| ChEMBL | CHEMBL1234848 |
| ChEBI | CHEBI:44557 |
| EC No. | 205-355-7 |
| DTXSID | DTXSID6020939 |
| 현지명 | 나이트릴로트라이아세트산 |
화학 및 물리적 성질
| XLogP | -3.2 |
|---|---|
| 극성 표면적 | 115 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 187 |
| 물질 분류 | Other Uses -> Chelating AgentsCarcinogens |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| pH | pH of saturated aqueous solution = 2.31.7-2.7 (23°C, 10g/L) |
| SpringerMaterials Properties | Sellmeier coefficient |
| LogP(분배 계수) | -3.8 |
| 밀도 | greater than 1 at 68 °F (USCG, 1999)GREATER THAN 1 AT 20 °C /SOLID/1.5784 (rough estimate) |
| Color/Form | Prismatic crystals from hot waterWhite crystalline powder |
| 용해도 | less than 0.1 mg/mL at 73 °F (NTP, 1992)Slightly soluble in DMSO-d6soluble in ethanol1.28 g dissolves in 1 L water at 22.5 °CInsoluble in most org solventsIn water, 5.91X10+4 mg/L at 25 °CSolubility in water, g/100ml at 22 °C: 0.128 (poor)0.1 M NaOH: 0.1 M @20°C, 투명, 무색 |
| 끓는 점 | Solid decomposes (NTP, 1992)326.86°C (rough estimate) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/.242 °C |
| 녹는점 | 475 °F (decomposes) (NTP, 1992)242 °C dec245 °C (dec.)(lit.) |
| 증기압 | 0.00000001 [mmHg]0-0Pa at 20-25℃ |
| 굴절률 | 1.4860 (estimate) |
| 인화점 | 100 °C |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 3.03, 3.07, 10.70(at 20℃) |
| 색상 | 하얀색 |
| 용해도 | 불용성. 23&C에서 <0.01g/100mL |
| Merck | 14,6579 |
| BRN | 1710776 |
| InChI | 1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13) |
| InChIKey | MGFYIUFZLHCRTH-UHFFFAOYSA-N |
| SMILES | OC(=O)CN(CC(O)=O)CC(O)=O |
| LogP(분배 계수) | -3.81 at 25℃ |
| NIST | Nitrilotriacetic acid(139-13-9) |
| EPA | Nitrilotriacetic acid (139-13-9) |
화학적 성질
Nitrilotriacetic acid, also known as NTA, is a white crystalline powder. It can dissolve in ammonia and alkali solutions while being slightly soluble in hot water. However, it is insoluble in water and most organic solvents. NTA can form mono-, di-, and tribasic salts, all of which are soluble in water. Combustible. 70% biodegradable.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 11.6% (58 of 500) of reports.WarningH302 (22.4%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 500 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: Glycine, N,N-bis(carboxymethyl)-Hazard Traits - CarcinogenicityGlycine, N,N-bis(carboxymethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N,N-bis(carboxymethyl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 20-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12171Restricted substance: Potassium [N,N-bis(carboxymethyl)glycinato(3-)-N,O,O',O'']cadmate(1-)Triglycollamic acid: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Nitrilotriacetic acid and salts: Human health tier II assessment |
| 화재 위험 | Flash point data for this chemical are not availablehowever, it is probably combustible. (NTP, 1992)Combustible under specific conditions. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air. |
| 건강 유해성 | Toxicity and health hazard of these compounds are low. Contact with eyes causes irritation. (USCG, 1999) |
| 유해성 요약 | A skin, eye, and respiratory tract irritantA possible human carcinogen[ICSC] An eye irritantNephrotoxic in experimental animalsNo evidence of teratogenicity in rats, rabbits, or miceEmergency treatment: Oxalic acidOxalic acid is an irritant that, after ingestion, may cause kidney damage, hypocalcemia, and hepatic necrosis[HSDB] A skin and mild eye irritant |
제조 및 합성 방법
제조 방법
The synthesis of nitrilotriacetic acid involves the following steps:Chloroacetic acid is reacted with sodium hydroxide to produce sodium chloroacetate.Sodium chloroacetate then reacts with ammonium chloride to form sodium aminotriacetate.The resulting sodium aminotriacetate is acidified to obtain nitrilotriacetic acid.