calcium hydrogen phosphate | 7789-77-7

• 物质功能分类: 无机化工 - 无机盐 - 磷化物、金属的磷酸、偏磷酸、次磷酸和焦磷酸盐
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱土金属氧阴离子化合物
• 英文名称: calcium hydrogen phosphate
• 英文别名: dicalcium phosphate；calcium phosphate dibasic；monetite；phosphoric acid calcium salt；calcium;hydrogen phosphate
• CAS: 7789-77-7
• 化学式: Ca*HO₄P
• 分子量: 136.057
• InChiKey: FUFJGUQYACFECW-UHFFFAOYSA-L

物化性质

• 熔点：
  109°C -H₂O
• 密度：
  2.31
• 溶解度：
  几乎不溶于水和乙醇（96%）。溶于稀盐酸和稀硝酸。
• LogP：
  -2.148 (est)
• 物理描述：
  DryPowder; DryPowder, PelletsLargeCrystals; OtherSolid; PelletsLargeCrystals
• 颜色/状态：
  Triclinic crystals
• 气味：
  Odorless
• 味道：
  Tasteless
• 稳定性/保质期：
  有二水磷酸氢钙和无水磷酸氢钙两种。在低于36℃时，二水物是稳定的；高于36℃时，无水物是稳定的。常用的为二水物CaHPO4·2H2O，其相对密度为2.306，微溶于水而不溶于乙醇，易溶于稀盐酸、硝酸和醋酸，在空气中稳定。加热至100℃以上时，二水物会逐渐失去结晶水；当温度达到175℃以上时，则转化为CaHPO4。在400～430℃的高温下，二水物将完全失去结晶水而成焦磷酸钙Ca2P2O7。即使在100℃以下，结晶水也会慢慢失去。

计算性质

• 辛醇/水分配系数(LogP)：
  -2.57
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  4

ADMET

吸收、分配和排泄

其元素会慢慢从小肠吸收。

... ITS ELEMENTS ARE SLOWLY ABSORBED FROM SMALL INTESTINE.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  1
• 海关编码：
  28352590
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  1. 食品级塑料袋外套编织袋包装。 2. 应贮存在通风、干燥、阴凉和清洁的库房内，需密封防潮，并避免与有毒物品和其他污染物品共存混运。运输时要防止雨淋和烈日暴晒，装卸时要小心轻放，以防包装破损。如发生火灾，可用水、沙土或各种灭火器进行扑救。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Calcium phosphate dibasic dihydrate
CAS-No. : 7789-77-7

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Skin irritation (Category 2)
Eye irritation (Category 2)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Precautionary statement(s)
Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : HCaO4P · 2H2O
Molecular Weight : 172,09 g/mol
Component Concentration
Calcium hydrogenorthophosphate dihydrate
CAS-No. 7789-77-7 -
EC-No. 231-826-1

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Thermal decomposition may produce toxic fumes of phosphorus oxides and/or phosphine
Oxides of phosphorus, Calcium oxide
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: crystalline
Colour: white
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density 2,310 g/cm3
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious eye irritation.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

磷酸氢钙是一种无机化合物，在工业、农业以及日常生活中都有广泛的应用。根据提供的信息，磷酸氢钙的生产方法主要有以下几种：

1. 复分解法：将磷酸二氢钠和磷酸氢二钠混合液与氯化钙溶液反应生成磷酸氢钙。
2. 骨炭盐酸法：利用高温下炭化的杂骨或骨渣经过盐酸溶解后进行中和反应生成磷酸氢钙。
3. 不过滤不脱氟一段中和法：以磷矿粉为原料，用稀盐酸溶解后进行中和反应，然后经洗涤、离心分离得到肥料用磷酸氢钙。
4. 磷酸一钙法：将过磷酸钙与水混合后浸取，再加入氯化钠脱氟，最后中和生成磷酸氢钙。

这些生产方法各有特点，在选择具体工艺时需根据原料来源、成本控制等因素综合考虑。需要注意的是，生产过程中应严格遵守安全操作规程，并确保产品符合相关质量标准。

反应信息

• 作为反应物：
  描述：

  calcium hydrogen phosphate 在 calcium carbonate 作用下， 反应 6.0h， 生成 tricalcium diphosphate
  参考文献：
  名称：

  INJECTABLE CALCIUM-PHOSPHATE CEMENT RELEASING A BONE RESORPTION INHIBITOR

  摘要：

  本发明涉及一种具有高压缩强度的大孔隙、可吸收和可注射的磷酸钙骨水泥，可用作骨水泥并释放骨吸收抑制剂，其制备方法和用途。

  公开号：

  US20080206296A1
• 作为产物：
  描述：

  hydroxyapatite 在 硫酸 作用下， 以 硫酸 为溶剂， 生成 calcium hydrogen phosphate
  参考文献：
  名称：

  Armsby, H. P., American Journal of Science, 1876, vol. 12, p. 46 - 48

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-噻吩甲醛 、 马尿酸 在 calcium hydrogen phosphate 、 乙酸酐 作用下， 以 neat (no solvent) 为溶剂， 反应 0.17h， 生成 2-phenyl-4-(thiophen-2-ylmethylene)oxazol-5(4H)-one
  参考文献：
  名称：

  Bodaghifard, Mohammad Ali; Mobinikhaledi, Akbar; Moradi, Khosro, Revue Roumaine de Chimie, 2016, vol. 61, # 3, p. 193 - 197

  摘要：

  DOI：

文献信息

• Thermoanalytical and structural characterization of fluoridated calcium phosphates prepared in anhydrous alcohols
  作者：Ricardo G. Simões、Ana I. Aleixo、Ana L. C. Lagoa、Manuel E. Minas da Piedade、João P. Leal、Thorsten Peitsch、Matthias Epple

  DOI：10.1007/s10973-009-0654-7

  日期：2010.5

  A thermoanalytical, morphological, and structural study of fluoridated calcium phosphates that were prepared by different variants of a synthesis in anhydrous alcohols is reported. The obtained materials were neither fully amorphous nor single-phased crystalline, and their nature considerably depended on the synthesis conditions. In all cases, the retention of significant amounts of solvent in the solid product was observed. A complete removal of the solvent was only possible by heating to temperatures above ~573–673 K which resulted in variations in the elemental composition, phase changes, and an increase of the crystallinity. Consequently, this synthesis in anhydrous alcohols is not a viable route to obtain materials with a defined crystallinity and stoichiometry.

  本文报道了对通过不同无水醇合成变体制备的氟化磷酸钙进行的热分析、形态学和结构研究。所得材料既非完全非晶态，也非单相晶态，其性质很大程度上取决于合成条件。在所有情况下，都观察到固体产物中保留了大量溶剂。只有在加热至高于约573-673 K的温度下才能完全去除溶剂，这会导致元素组成、相变和结晶度增加的变化。因此，在无水醇中合成并不是获得具有定义结晶度和化学计量的材料的可行途径。
• Synthesis of calcium phosphate powder from calcium lactate and ammonium hydrogen phosphate for the fabrication of bioceramics
  作者：T. V. Safronova、V. I. Putlyaev、M. D. Andreev、Ya. Yu. Filippov、A. V. Knotko、T. B. Shatalova、P. V. Evdokimov

  DOI：10.1134/s0020168517080143

  日期：2017.8

  A calcium phosphate powder has been synthesized from aqueous 0.25, 0.5, and 1.0 M calcium lactate and ammonium hydrogen phosphate solutions atat a Ca/P = 1, without pH adjusting. According to X-ray diffraction data, the as-synthesized powder consisted of brushite (CaHPO4 · 2H2O) and octacalcium phosphate (Ca8(HPO4)2(PO4)4 · 5H2O). After heat treatment in the range 500–700°C, the powders were gray in

  磷酸钙粉末是由0.25、0.5和1.0 M的乳酸钙水溶液和磷酸氢铵溶液以Ca / P = 1合成的，无需调节pH。根据X射线衍射数据，合成后的粉末由透钙磷石（CaHPO 4 ·2H 2 O）和磷酸八钙（Ca 8（HPO 4）2（PO 4）4 ·5H 2 O）组成。在500–700°C的温度范围内进行热处理后，由于破坏了反应副产物，粉末呈灰色。在500-700℃下由主要的范围的粉末进行热处理γ-的Ca 2 P 2 ö 7。通过在1100从焙烧合成粉末制备的陶瓷℃下由β-的Ca 2 P 2 ö 7和β-的Ca 3（PO 4）2。
• Compositions And Methods For Bioactive Dental Composites
  申请人：WANG Tongxin

  公开号：US20160113844A1

  公开（公告）日：2016-04-28

  Described herein are compositions and methods which produce hydrolytically stable resin monomers, bioactive fillers, phosphorus coupling agent and surface coating method, which can be combined to produce new generation dental composites; compositions comprising the same, as well as methods of making and using the same are also described.

  本文描述了能够产生具有水解稳定性的树脂单体、生物活性填料、磷偶联剂和表面涂层方法的组合物和方法，这些可以结合在一起生产新一代的牙科复合材料；描述了包括这些组分的组合物，以及制备和使用这些组合物的方法。
• Composite shaped bodies and methods for their production and use
  申请人：Koblish Antony

  公开号：US20050042288A1

  公开（公告）日：2005-02-24

  Shaped, composite bodies are provided. One portion of the shaped bodies comprises an RPR-derived porous inorganic material, preferably a calcium phosphate. Another portion of the composite bodies is a different solid material, preferably metal, glass, ceramic or polymeric. The shaped bodies are especially suitable for orthopaedic and other surgical use.

  提供了成型的复合体。成型体的一部分包括一种RPR衍生的多孔无机材料，最好是磷酸钙。复合体的另一部分是不同的固体材料，最好是金属、玻璃、陶瓷或聚合物。这些成型体特别适用于骨科和其他外科手术。
• Methanol adsorption and dehydrogenation over stoichiometric and non-stoichiometric hydroxyapatite catalysts
  作者：Yasuyuki Matsumura、John B. Moffat

  DOI：10.1039/ft9969201981

  日期：——

  On hydroxyapatite of stoichiometric composition (Ca/P = 1.65), methanol decomposes at 600 °C, in the absence of oxygen, to produce predominantly carbon monoxide. As the Ca/P ratio decreases, the selectivities to formaldehyde and dimethyl ether increase to ca. 80% at a value of Ca/P equal to 1.51. IR spectra show that methoxy groups are formed on the surface of both the stoichiometric and non-stoichiometric catalysts. Both IR and temperature-programmed desorption experiments suggest that for the decomposition of methanol, acidic sites are required for the dissociative adsorption whereas basic sites facilitate the C—H bond scission via carboxylate groups and the consequent formation of CO and H2.

  在化学计量组成的羟基磷灰石上（Ca/P = 1.65），在缺氧条件下，甲醇在600°C分解，主要产生一氧化碳。随着Ca/P比值的降低，甲醛和二甲醚的选择性增加，在Ca/P为1.51时约为80%。红外光谱表明，在化学计量和非化学计量催化剂的表面均形成了甲氧基团。红外光谱和温度程序脱附实验均表明，在甲醇分解过程中，酸性位点是实现解离吸附所必需的，而碱性位点则通过羧酸盐促进C—H键的断裂，从而导致CO和H2的生成。