基本信息
- 标准SMILES
O=P(O)(O)CN(CP(=O)(O)O)CP(=O)(O)O- InChIKey
YDONNITUKPKTIG-UHFFFAOYSA-N- 分子式
- C3H12NO9P3
- 平均分子量
- 299.05 g/mol
- 单同位素质量
- 298.97249085
概述
[Nitrilotris(methylene)]trisphosphonic acid is a phosphonoacetic acid.
名称与标识
- 首选名称
- Aminotrimethylene phosphonic acid
- IUPAC
- [bis(phosphonomethyl)amino]methylphosphonic acid
- 中文名
- 氨基三亚甲基膦酸
- 英文名
- Amino tris(methylene phosphonic acid)
- 分子式
- C3H12NO9P3
- 分子量
- 299.05
名称与别名
展开更多名称
数据库标识
- 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
性质
结构计算性质
- XLogP
- -7.2
- 极性表面积
- 176 Ų
- 氢键供体
- 6
- 氢键受体
- 10
- 可旋转键
- 6
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 305
实验与物化性质
Melting Point
210 - 215 °C
-14 °C
Physical Description
Liquid
CBI; Liquid
Glassy solid; [CHEMINFO] Fine white crystals; [MSDSonline]
Solid
物理化学性质
- 熔点
- 215 °C · ~215 °C (dec.)
- 沸点
- 746.2 · 746.2±70.0 °C(Predicted)
- 密度
- 1.3 g/mL · 1.3 g/mL at 25 °C
- 蒸气压
- 0 Pa · 0Pa at 25℃
- 储存条件
- Sealed in dry,Room Temperature
- 溶解度
- Water (Slightly, Heated)
- 酸度系数(pKa)
- 0.56 · 0.56±0.10(Predicted)
- 形态
- Solid
- 颜色
- White
- PH值
- 0.46 · 0.46
- 水溶解性
- 500 g/L · 500g/L at 20℃
- BRN
- 1715724 · 1715724
- 稳定性
- Stable. Incompatible with bases, strong oxidizing agents.
- 化妆品成分功效
- CHELATING
- 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
- CAS 数据库
- 6419 · 6419-19-8(CAS DataBase Reference)
- EPA化学物质信息
- Aminotri(methylene phosphonic acid) (6419-19-8)
安全与法规
GHS分类
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.
危害信息
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%)
安全与防护
Protective Action Criteria (PAC)
30 [mg/m3]
69 [mg/m3]
420 [mg/m3]
安全数据
- F
- 3-9
- wgk
- 1
- tsca
- TSCA listed
- RTECS号
- SZ9860000
- 包装类别
- III
- 危险等级
- 8
- 存储类别
- 8A - Combustible corrosive hazardous materials
- 安全说明
- 26-45-36/37/39-25-44-36
- 海关编码
- 29319090
- 危险品标志
- Xi,C
- 危险性类别
- Met. Corr. 1
- 危险类别码
- 36-34-35
- 危险品运输编号
- 3265
化学与工业
药理信息
用途与制造
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
应用领域
简介氯基三甲叉膦酸又叫氨基三亚甲基膦酸(ATMP),具有良好的螯合、低限抑制及晶格畸变作用。可阻止水中成垢盐类形成水垢,特别是碳酸钙垢的形成。氨基三亚甲基膦酸在水中化学性质稳定,不易水解。在水中浓度较高时,有良好的缓蚀效果。
应用氯基三甲叉膦酸用于火力发电厂、炼油厂的循环冷却水、油田回注水系统。可以起到减少金属设备或管路腐蚀和结垢的作用。氨基三亚甲基膦酸在纺织印染等行业用作金属离子螯合剂,也可用于金属表面处理剂等。
用途ATMP在水中化学性质稳定,不易水解。在水中浓度较高时,氨基三亚甲基膦酸有良好的缓蚀效果。ATMP用于火力发电厂、炼油厂的循环冷却水、油田回注水系统。氨基三亚甲基 膦酸可以起到减少金属设备或管路腐蚀和结垢的作用。ATM在纺织印染等行业用作金属离 子螯合剂,也可用于金属表面处理剂等。固体为结晶性粉末,易溶于水,易吸潮,易于运输 和使用,尤其适用于冬季严寒地区。由于氨基三亚甲基膦酸ATMP纯度较高,可用作纺织印 染行业的金属鳌合剂及金属表面处理剂。 ATMP具有良好的整合、低限抑制及晶格畸变作用。可阻止水中成垢盐类形成水垢,特别是碳酸钙 垢的形成。ATMP在水中化学性质稳定,不易水解。在水中浓度较高时,有良好的缓蚀效果ATMP用于火力发电厂、炼油厂的循环冷却水、油田回注水系统。可以起到减少金属设备或管路腐蚀和结垢的作用。ATMP在纺织印染等行业用作金属离子螯合剂,也可用于金属表面处理剂等。ATMP固体为结晶性粉末,易 溶于水,易吸潮,易于运输和使用,尤其适用于冬季严寒地区。由于纯度较高,可用作纺织印染行业的金属鳌合剂及金属表面处理剂。
用途冷却水系统、输油管线及锅炉的防垢,它可作为高硬度,高矿化度等水质的恶劣的油管线的阻垢剂。
用途用于冷却水、锅炉水、油田水处理的阻垢剂和缓蚀剂
用途用于火力发电厂、炼油厂的循环冷
制备方法
制备(1)将15g黄磷打入经氮气除氧的密闭反应釜中;(2)加热至45℃后向反应釜内通入少量的高纯氧,在不充足的氧气下不完全燃烧,在密闭反应釜得到三氧化二磷(P2O3);(3)向密闭反应釜中加入90g水、40g氯化铵,在20℃搅拌混合60min,搅拌后再滴加100g质量分数为37%甲醛溶液,滴加后加热至50℃,反应2h,然后再以1.5℃/min升温至110℃,反应1h;(4)反应完全后控制温度125℃进行蒸馏,待无物料蒸出时即可得氯基三甲叉膦酸。
上下游产品信息
上游原料
下游产品
试剂价格
- N0474 · 25ML
- 次氮基三(亚甲基膦酸)(约50%的水溶液,约2.2mol/L)Nitrilotris(methylenephosphonic Acid) (ca. 50% in Water, ca. 2.2mol/L) — 120元
- N0474 · 100ML
- 氨基三亚甲基膦酸Nitrilotris(methylenephosphonic Acid) (ca. 50% in Water, ca. 2.2mol/L) — 250元
供应商50 家
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