(アミノメチル)ホスホン酸
(Aminomethyl)phosphonic acid
基本情報
- CAS
1066-51-9- 標準SMILES
NCP(=O)(O)O- InChIKey
MGRVRXRGTBOSHW-UHFFFAOYSA-N- 分子式
- CH6NO3P
- 平均分子量
- 111.04 g/mol
- 単同位体質量
- 111.00853005
概要
(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-).
名称と識別子
- 優先名称
- (Aminomethyl)phosphonic acid
- IUPAC
- aminomethylphosphonic acid
- 現地名
- (アミノメチル)ホスホン酸
- 英語名
- (Aminomethyl)phosphonic acid
- 分子式
- CH6NO3P
- 分子量
- 111.04
名称と別名
(Aminomethyl)phosphonic acid1066-51-9AMINOMETHYLPHOSPHONIC ACID1-Aminomethylphosphonic acidCHEBI:28812NSC-3007690825O5C1UDTXSID5037490RefChem:429439DTXCID3017490623-325-5Aminomethanephosphonic acid
名称をさらに表示
(アミノメチル)ホスホン酸アミノメチルホスホン酸アミノメチルホスホン酸標準品アミノメチルリン酸アミノメチルりん酸標準品アミノメチルりん酸標準液(アミノメチル)りん酸標準物質アミノメチルホスホン酸 (M-547-02)アミノメチルホスホン酸 STANDARD(アミノメチル)ホスホン酸, 99%アミノメチルホスホン酸 (M-547-02), 100 µg/mL in Waterアミノメチルホスホン酸 Standard, 100 µg/mL in Waterアミノメチルホスホン酸, 1000 µg/mL in Water1-アミノメチルホスホン酸AMPAAMINOMETHYLPHOSPHONATEH-GLYP-(OH)2H-AMEPO-(OH)2AMPA 10.0 μg/ml Water(aminomethyl)phosphonicChlorpyrifos Impurity 45Aminomethyanephosphonic Acid
AMePPhosphaglycinePhosphonic acid, (aminomethyl)-Amino methane phosphoric acidCaswell No. 037CMFCD00008105(1-Aminomethyl)phosphonic acidAminomethyl phosphonic acid (AMPA)
データベース識別子
- CAS
1066-51-9- PubChem CID
- 14017
- DTXSID
DTXSID5037490- ChEMBL
CHEMBL41873- ChEBI
CHEBI:28812- UNII
- 90825O5C1U
- EC Number
- 623-325-5
- Nikkaji
- J138.614J
物性
構造計算による物性
- XLogP
- -4.7
- 極性表面積
- 83.6 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 74.9
実験および物理化学的性質
Pesticides
Environmental transformation -> Pesticide transformation products (metabolite, successor)
Pesticide (Aminomethylphosphonic acid (AMPA)) -> USDA PDB
Pesticide degradation product
物理化学的性質
- 融点
- 300 °C · 300 °C
- 沸点
- 358 · 358.0±44.0 °C(Predicted)
- 比重(密度)
- 0.6 · 0.6
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- 50 mg/mL · 水：可溶50mg/mL 無色透明
- 外見
- 微結晶性粉末
- 酸解離定数(Pka)
- 1 · pK1: 2.35;pK2: 5.9;pK3: 10.8 (25°C)
- 色
- 白い
- 水溶解度
- 溶ける
- BRN
- 1701219 · 1701219
- 安定性
- 安定。強力な酸化剤とは相容れない。湿気から保護してください。
- 主な用途
- 農業環境
- InChI
- 1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
- InChIKey
- MGRVRXRGTBOSHW-UHFFFAOYSA-N
- SMILES
- NCP(O)(O)=O
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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.
危険有害性情報
Regulatory Information
Chemical: Phosphonic acid, (aminomethyl)-
Regulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesSkin Irrit. 2 (12.5%)
毒性情報
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
安全データ
- F
- 3-9
- wgk
- 3
- ridadr
- UN 3261 8/PG 3
- hs_code
- 29319090
- risk_code
- 36/37/38-35-39/23/24/25-20/21/22
- hazard_code
- Xi,C,T
化学と産業
用途と製造
Use Classification
Transformation products
Environmental transformation -> Pesticide transformation products (metabolite, successor)
応用分野
使用(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.
一般的な説明(Aminomethyl)phosphonic acid is a metabolite of amitrole and glyphosate herbicides and was analyzed by HPLC using an electrochemical detector.
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上流原料
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