기본 정보
- 표준 SMILES
O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O- InChIKey
YDONNITUKPKTIG-UHFFFAOYSA-N- 분자식
- C3H12NO9P3
- 평균 분자량
- 299.05 g/mol
- 단동위원소 질량
- 298.97249085
개요
[Nitrilotris(methylene)]trisphosphonic acid is a phosphonoacetic acid.
이름 및 식별자
- 우선 이름
- Aminotrimethylene phosphonic acid
- IUPAC
- [bis(phosphonomethyl)amino]methylphosphonic acid
- 현지명
- 아미노트라이메틸렌 포스폰산
- 영어명
- Amino tris(methylene phosphonic acid)
- 분자식
- C3H12NO9P3
- 분자량
- 299.05
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
20592-85-2、6419-19-8- PubChem CID
- 16698
- DTXSID
DTXSID2027624- ChEMBL
CHEMBL260191- ChEBI
CHEBI:168957- UNII
- 1Y702GD0FG
- EC Number
- 229-146-5、243-900-0
- Nikkaji
- J56.127D
물성
구조 계산 물성
- XLogP
- -7.2
- 극성 표면적
- 176 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 305
실험 및 물리화학적 성질
Melting Point
210 - 215 °C
-14 °C
Physical Description
Liquid
CBI; Liquid
Glassy solid; [CHEMINFO] Fine white crystals; [MSDSonline]
Solid
물리화학적 성질
- 녹는점
- 215 °C · ~215 °C (dec.)
- 끓는 점
- 746.2 · 746.2±70.0 °C(Predicted)
- 밀도
- 1.3 g/mL · 1.3 g/mL at 25 °C
- 증기압
- 0 Pa · 0Pa at 25℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 물(약간 용해됨, 가열)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 0.56 · 0.56±0.10(Predicted)
- 색상
- 하얀색
- 수소이온지수(pH)
- 0.46 · 0.46
- 수용성
- 500 g/L · 500g/L at 20℃
- BRN
- 1715724 · 1715724
- 안정성
- 안정적인. 염기, 강한 산화제와 호환되지 않습니다.
- 화장품 원료 기능
- 킬레이팅
- InChI
- 1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
- InChIKey
- YDONNITUKPKTIG-UHFFFAOYSA-N
- SMILES
- OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O
- LogP
- -3.5 · -3.5
- EPA
- Aminotri(methylene phosphonic acid) (6419-19-8)
화학적 성질
colourless liquid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 8.2% (66 of 802) of reports.
Warning
H290 (48.4%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P390, and P406 (click each P-code to see the statement)
Aggregated GHS information provided per 802 reports by companies from 29 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 96.5% (305 of 316) of all reports.
유해성 정보
Regulatory Information
Chemical: Phosphonic acid, P,Pâ²,Pâ²â²-[nitrilotris(methylene)]tris-
Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?) 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)
Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris- 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: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15198
Status: Active Update: 18-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/14507
Aminotri(methylenephosphonic acid): Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Not Classified
Met. Corr. 1 (48.4%)
안전 및 보호
Protective Action Criteria (PAC)
30 [mg/m3]
69 [mg/m3]
420 [mg/m3]
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- SZ9860000
- ridadr
- 3265
- HS 번호
- 29319090
- risk_code
- 36-34-35
- hazard_code
- Xi,C
- safety_code
- 26-45-36/37/39-25-44-36
- 포장분류
- III
- 위험 등급
- 8
- 기존화학 물질
- KE-01622
- F 고인화성물질
- 3-9
- Hazard Classifications
- Met. Corr. 1
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
용도 및 제조
Uses
Used mainly as a deflocculant and sequestrant (chelating or complexing agent) in industrial water treatment; Also used in cleaners and in stabilizers (peroxide solutions to bleach cotton, linen, jute, rayon, and paper); [CHEMINFO]
Pulp and Paper Processing [Category: Industry]
U.S. Production
2023: 2,500,000 - <4,000,000 lb
2023: 4,000,000 - <5,500,000 lb
Consumer Uses
Chelating agent
Chelating agent
Industry Uses
Lubricating agent
Cleaning agent
Use Classification
EPA Safer Chemical Functional Use Classes -> Oxidants and Oxidant Stabilizers
Safer Chemical Classes -> Yellow triangle - The chemical has met Safer Choice Criteria for its functional ingredient-class, but has some hazard profile issues
Cosmetics -> Chelating
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-: ACTIVE
Phosphonic acid, P,P',P''-[nitrilotris(methylene)]tris-, sodium salt (1:?): ACTIVE
응용 분야
용도A powerful complexing agent. A potent acid sphingomyelinase inhibitor.
일반 설명Nitrilotris(methylene)triphosphonic acid solution is an antiscalant and can be removed form membrane concentrates by iron-coated waste filtration sand. It is a cement retarder. It reacts with the aluminum surface to form a coating which is an effective inhibitor of the reaction of evaporated aluminum thin films on glass or silicon with deionized water.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
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