기본 정보
- 표준 SMILES
NCP(=O)(O)O- InChIKey
MGRVRXRGTBOSHW-UHFFFAOYSA-N- 분자식
- CH6NO3P
- 평균 분자량
- 111.04 g/mol
- 단동위원소 질량
- 111.00852968
개요
(aminomethyl)phosphonic acid is a member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate. It is a member of phosphonic acids and a one-carbon compound. It is functionally related to a phosphonic acid. It is a conjugate acid of an (aminomethyl)phosphonate(1-).
이름 및 식별자
- 우선 이름
- (Aminomethyl)phosphonic acid
- IUPAC
- aminomethylphosphonic acid
- 영어명
- (Aminomethyl)phosphonic acid
- 분자식
- CH6NO3P
- 분자량
- 111.04
이름 및 동의어
(Aminomethyl)phosphonic acid1066-51-9AMINOMETHYLPHOSPHONIC ACID1-Aminomethylphosphonic acidCHEBI:28812NSC-3007690825O5C1UDTXSID5037490RefChem:429439DTXCID3017490623-325-5Aminomethanephosphonic acid
이름 더 보기
AMPAAMINOMETHYLPHOSPHONATEH-GLYP-(OH)2H-AMEPO-(OH)2AMPA 10.0 μg/ml Water(aminomethyl)phosphonicChlorpyrifos Impurity 45Aminomethyanephosphonic Acid
AMePMFCD00008105Phosphonic acid, (aminomethyl)-Amino methane phosphoric acid(1-Aminomethyl)phosphonic acidPhosphaglycineAminomethyl phosphonic acid (AMPA)DG-0043
데이터베이스 식별자
- CAS
1066-51-9- PubChem CID
- 14017
- DTXSID
DTXSID5037490- ChEMBL
CHEMBL41873- ChEBI
CHEBI:28812- UNII
- 90825O5C1U
- EC Number
- 623-325-5
- Nikkaji
- J138.614J
물성
구조 계산 물성
- XLogP
- -4.7
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 74.9
실험 및 물리화학적 성질
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide (Aminomethylphosphonic acid (AMPA)) -> USDA PDB
Pesticide degradation product
물리화학적 성질
- 녹는점
- 300 °C · 300 °C
- 끓는 점
- 358 · 358.0±44.0 °C(Predicted)
- 밀도
- 0.6 · 0.6
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 50 mg/mL, · 물: 용해성50mg/mL, 투명, 무색
- 물리적 상태
- 미세 결정성 분말
- 산도 계수 (pKa)
- 1 · pK1: 2.35;pK2: 5.9;pK3: 10.8 (25°C)
- 색상
- 하얀색
- 수용성
- 녹는
- BRN
- 1701219 · 1701219
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다. 습기로부터 보호하십시오.
- 주요 응용
- 농업환경
- InChI
- 1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
- InChIKey
- MGRVRXRGTBOSHW-UHFFFAOYSA-N
- SMILES
- NCP(O)(O)=O
- EPA
- Aminomethylphosphonic acid (1066-51-9)
화학적 성질
white crystals or powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 79.2% (38 of 48) of all reports.
Warning
H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Phosphonic acid, (aminomethyl)-
Regulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesSkin Irrit. 2 (12.5%)
독성 정보
USGS Health-Based Screening Levels for Evaluating Water-Quality
Aminomethylphosphonic acid
62649
Pesticide degradation product
Also see CASRN 1071836
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
안전 데이터
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- HS 번호
- 29319090
- risk_code
- 36/37/38-35-39/23/24/25-20/21/22
- hazard_code
- Xi,C,T
- safety_code
- 26-36-24/25-45-36/37/39-36/37
- F 고인화성물질
- 3-9
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use Classification
Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
응용 분야
용도(Aminomethyl)phosphonic acid is used in the preparation of (acetylamino-methyl)-phosphonic acid by reacting with acetic anhydride. Further, it is used in the development of immobilized metal affinity chromatography column based on organic-inorganic hybrid silica monolith.
일반 설명(Aminomethyl)phosphonic acid is a metabolite of amitrole and glyphosate herbicides and was analyzed by HPLC using an electrochemical detector.
상·하류 제품 정보
상류 원료
하류 제품
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추가 설명
정의ChEBI: A member of the class of phosphonic acids that is phosphonic acid substituted by an aminomethyl group. It is a metabolite of the herbicide glyphosate.
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