Toluene diisocyanate manufacturer Knowledge 2-Nitro-2-methyl-1,3-propanediol 2-Nitro-2-methyl-1,3-propanediol

2-Nitro-2-methyl-1,3-propanediol 2-Nitro-2-methyl-1,3-propanediol

2-nitro-2-methyl-1,3-propanediol structural formula

Structural formula

Business number 01LU
Molecular formula C4H9NO4
Molecular weight 135.12
label

2-Methyl-2-nitro-1,3-propanediol,

2-Methyl-2-nitro-1,3-propanediol

Numbering system

CAS number:77-49-6

MDL number:MFCD00024812

EINECS number:201-031-4

RTECS number:TY8925000

BRN number:None

PubChem ID:None

Physical property data


1. Character: Unsure.


2. Density (g/mL,25/4): Unsure


3. Relative vapor density (g/mL,AIR=1): Unsure


4. Melting point (ºC): Unsure


5. Boiling point (ºC,Normal pressure): Unsure


6. Boiling point (ºC,5.2kPa): Unsure


7. Refractive index: Uncertain


8. Flashpoint (ºC): Unsure


9. Specific optical rotation (º): Unsure


10. Autoignition point or ignition temperature (ºC): Unsure


11. Vapor pressure (kPa,25ºC): Unsure


Mouse skinLD50: >10ml/kg; mouse abdominal cavity LD50: 1600mg/kg;


Rabbit caliberLD50: 1mg/kg;


2, other multiple dose toxicity data


Rabbit skin TDL0: 18mL/kg/13W-I

Ecological data

None yet

Molecular structure data

5. Molecular property data:


1. Molar refractive index: 29.63


2. Molar volume (m3/mol):102.4


3. isotonic specific volume (90.2K):278.3


4. Surface Tension (dyne/cm):54.6


5. Polarizability10-24cm3):11.74

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 86.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 104

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

FONT-FAMILY: Arial; mso-fareast-font-family: Arial”>4. Surface tension (dyne/cm): 54.6


5. Polarizability10-24cm3):11.74

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -1.1

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 86.3

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 104

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/22958

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