Calcium Hydrogen Phosphate

ChemSpider ID: 22849
Molecular Formula: HCaO₄P
Average mass: 136.057297 Da
Monoisotopic mass: 135.923843 Da
Systematic name

Calcium hydrogen phosphate
SMILES and InChIs

SMILES:

[Ca+2].[O-]P([O-])(=O)O Copied

Std. InChI:

InChI=1S/Ca.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+2;/p-2 Copied

Std. InChIKey:

FUFJGUQYACFECW-UHFFFAOYSA-L Copied
Cite this record
CSID:22849, http://www.chemspider.com/Chemical-Structure.22849.html (accessed 07:40, May 25, 2012) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Calcium Hydrogen Phosphate [ACD/IUPAC Name]

Calcium hydrogen phosphate (1:1:1)

PHOSPHORIC ACID CALCIUM SALT

Phosphoric acid calcium(2+) salt (2:3)

PHOSPHORIC ACID, CALCIUM SALT

phosphoric acid, calcium salt (2:1)

Phosphoric acid, calcium salt (2:3)

Phosphoric acid, calcium salt (3:4)

10103-46-5 [RN]

155420-92-1 [RN]

More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

CCRIS 1337 [DBID]

CHEBI:32596 [DBID]

D03302 [DBID]

HSDB 992 [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

experimental physchem properties
- Flash Point:
  
  Powder deg CAlfa Aesar
- Powder deg CAlfa Aesar
- Optical Rotation:
  
  Calcium phosphate, dibasic Alfa Aesar
- Calcium phosphate, dibasic Alfa Aesar
miscellaneous
- Appearance:
  
  Calcium hydrogen phosphate, anhydrous, 98% min Alfa Aesar
- Calcium hydrogen phosphate, anhydrous, 98% min Alfa Aesar
- white powder Oxford University Chemical Safety Data
- Stability:
  
  Stable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data
- Safety:
  
  CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar
- CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar
- CAUTION: Dust may irritate eyes and respiratory tract Alfa Aesar
- Safety glasses. Oxford University Chemical Safety Data

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	-2.148	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-5.41	ACD/LogD (pH 7.4):	-6.38
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	4	#H bond donors:	3
#Freely Rotating Bonds:	0	Polar Surface Area:	76.57 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	158 °C at 760 mmHg	Vapour Pressure:	1.41 mmHg at 25°C

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Calcium Hydrogen Phosphate

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Std. InChI:

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Calcium Hydrogen Phosphate

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