Benzoic Acid-13C6

Catalog No: FT-0662570

CAS No: 125945-98-4

Chemical Name: Benzoic Acid-13C6
Molecular Formula: C7H6O2
Molecular Weight: 128.077 g/mol
InChI Key: WPYMKLBDIGXBTP-IDEBNGHGSA-N
InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Symbol:	Danger
FW:	128.07700
Density:	N/A
CAS:	125945-98-4
Bolling_Point:	249ºC(lit.)
Product_Name:	benzoic acid
Melting_Point:	121-125ºC(lit.)
Flash_Point:	N/A
MF:	C7H6O2

Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 373 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :104 ', '10. Isotope Atom Count :6 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure:	['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 134056225 Da ', '8. Nominal mass 134 Da ', '9. Average mass 1340766 Da']
LogP:	1.38480
Melting_Point:	121-125ºC(lit.)
FW:	128.07700
PSA:	37.30000
MF:	C7H6O2
More_Info:	['1 . Appearance 。 ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC） ', '5 . Boiling point（ºC,Atmospheric pressure） ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 。']
Bolling_Point:	249ºC(lit.)
Exact_Mass:	128.05700

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
Hazard_Codes:	Xn,R
Risk_Statements(EU):	R22;R41;R37/38;R42/43
Safety_Statements:	S22;S26;S36
Symbol:	Danger
RIDADR:	UN 2910 7
Warning_Statement:	P261-P280-P305 + P351 + P338-P342 + P311