Structural formula
| Business number | 025Y |
|---|---|
| Molecular formula | C10H11NO2 |
| Molecular weight | 177.20 |
| label |
(3,4-Dimethoxyphenyl)acetonitrile, Veratrum nitrile, 3,4-Dimethoxybenzonitrile, 3,4-Dimethoxy-benzeneacetonitril, 3,4-Dimethoxybenzyl cyanide |
Numbering system
CAS number:93-17-4
MDL number:MFCD00001911
EINECS number:202-225-1
RTECS number:AL9325000
BRN number:1956100
PubChem number:24847718
Physical property data
1. Character:Solid crystal
2. Density (g/mL,25/4℃):1.053
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (oC): 64-66
5. Boiling point (oC,Normal pressure): Undetermined
6. Boiling point (oC,1.33kPa):171-178
7. Refractive index: Undetermined
8. Flashpoint (oC): 250
9. Specific optical rotation (o): Undetermined
10. Autoignition point or ignition temperature (oC): Undetermined
11. Vapor pressure (kPa,25oC): Undetermined
12. Saturation vapor pressure (kPa,60oC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (oC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 49.07
2. Molar Volume (m3/mol）：163.6
3. Isotonic specific volume ( 90.2K):405.5
4. Surface Tension (dyne/cm):37.7
5. Polarizability（10-24cm3):19.45
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 42.2
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 196
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
Storage method
This product should be kept sealed and dry.
Synthesis method
From o-dimethoxybenzene ([91-16-7]), via methyl chloride Derived from base and cyanide.
Purpose
Used as an intermediate in organic synthesis.
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Structural formula
| Business number | 017E |
|---|---|
| Molecular formula | C16H22OSi2 |
| Molecular weight | 286.52 |
| label |
1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane |
Numbering system
CAS number:56-33-7
MDL number:None
EINECS number:200-265-4
RTECS number:JM9236000
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
1, reproductive toxicity: oral administration to male rats TDLo: 700mg/kg7days before mating;
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 89.23
2. Molar volume (m3/mol):293.3
3. isotonic specific volume (90.2K):678.1
4. Surface Tension (dyne/cm):28.5
5. Polarizability（10-24cm3): 35.37
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: none
6. Topological molecule polar surface area 9.2
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 249
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
Storage method
None
Synthesis method
None
Purpose
None
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Structural formula
| Business number | 017A |
|---|---|
| Molecular formula | C6H17N3 |
| Molecular weight | 131.22 |
| label |
3,3′-Iminodipropylamine, N-(3-Aminopropyl)-1,3-propanediamine, Dipropylenetriamine, Norspermidine, (NH2CH2CH2CH2)2NH |
Numbering system
CAS number:56-18-8
MDL number:MFCD00008214
EINECS number:200-261-2
RTECS number:JL9450000
BRN number:1071254
PubChem number:24896102
Physical property data
1. Characteristics: Colorless liquid.
2. Density ( g/mL,25/4℃) ：0.938
3. Relative vapor density (g/mL,air=1): Undetermined
4. Melting point ( oC): -14
5. Boiling point ( oC,Normal pressure): Undetermined
6. Boiling point ( oC, 6.67kPa): 151
7. Refractive index: 1.4810
8. Flash Point (oC):118
9. Specific optical rotation (o): Undetermined
10. Autoignition point or ignition temperature (oC): Not OK
11. Vapor pressure (kPa,25oC): Undetermined
12. Saturation vapor pressure (kPa,60oC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (oC): Undetermined
15. Critical Pressure (KPa): Undetermined
16. Oil and water (octanol/Water) partition coefficient pair Value: Undetermined
17. Explosion limit (%,V/V): Not OK
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: soluble in water and polar organic solvents.
Toxicological data
1, skin or eyes Irritation: Rabbit, skin contact, open irritation test, 470mg, moderate reaction; Rabbit, eye contact, standard Draize test, 47mg, strong reaction
2, acute toxicity: rat oral LD50: 738mg /kg; Mouse oral administration LD50: 435mg/kg; Rabbit oral administration LD50: 210mg/kg; Rabbit, skin contact LD50: 110ul/kg；
Rat subcutaneous LDLo: 200mg/kg; guinea pig oral LD50 ：258mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 40.51
2. Molar volume (m3 /mol):143.7
3. isotonic specific volume (90.2K):356.8
4. Surface Tension (dyne/cm):37.9
5. Polarizability（10-24cm3):16.06
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): -1.4
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 3
p>
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 64.1
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 41.6
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
Storage method
This product should be sealed and stored in a dry and dark place .
Synthesis method
None
Purpose
Affinity chromatography analysis of meta-amines. Intermediates for the manufacture of soap, dyes, rubber, and chemicals. Emulsifier. Pesticides and medicines.
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Structural formula
| Business number | 025Q |
|---|---|
| Molecular formula | C9H10O4 |
| Molecular weight | 182.17 |
| label |
3,4-Dimethoxybenzoic acid, veratrid acid, 3,4-dimethoxyformic acid, 3,4-Dimethoxybenzoic acid, 3,4-dimethoxybenzoic acid, veratrumenoic acid, 3,4-Dimethylprotocatechuic acid |
Numbering system
CAS number:93-07-2
MDL number:MFCD00002500
EINECS number:202-215-7
RTECS number:DG8598750
BRN number:518285
PubChem number:24893253
Physical property data
1. Character:Acicular or prismatic crystals. Odorless. Can sublimate (rhombus crystal)
2. Density (g/mL,25/4℃)： Undetermined
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (oC): 180～181℃ (anhydrous).
5. Boiling point (oC,Normal pressure):272
6. Boiling point (oC,5.2kPa): Undetermined
7. Refractive index: undetermined
8. Flashpoint (oC): Undetermined
9. Specific optical rotation (o): Undetermined
10. Autoignition point or ignition temperature (oC): Undetermined
11. Vapor pressure (kPa,25oC): Undetermined
12. Saturated vapor pressure (kPa,60oC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (oC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of partition coefficient (water): undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Soluble in ether, benzene and carbon disulfide, slightly soluble in ethanol, almost insoluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 46.53
2. Molar volume (m3/mol):149.9
3. isotonic specific volume (90.2K):382.7
4. Surface Tension (dyne/cm):42.4
5. Polarizability（10-24cm3):18.44
Compute chemical data
1 , Reference value for hydrophobic parameter calculation (XlogP): 1.6
2 , Number of hydrogen bond donors: 1
3 , Number of hydrogen bond acceptors: 4
4 , Number of rotatable chemical bonds: 3
5 , Number of tautomers:
6、 Topological molecular polar surface area ( TPSA): 55.8
7 , Number of heavy atoms: 13
8 , Surface charge: 0
9 , Complexity: 181
10 , Isotope atomic number: 0
11 , Determine the number of atomic stereocenters: 0
12 , Uncertain number of atomic stereocenters: 0
13 , Determine the number of stereocenters of chemical bonds: 0
14 , Uncertain number of chemical bond stereocenters: 0
15 , Number of covalent bond units: 1
Properties and stability
None
Storage method
???This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
None
Purpose
For organic synthesis.
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Structural formula
| Business number | 025M |
|---|---|
| Molecular formula | C9H12O3 |
| Molecular weight | 168.19 |
| label |
3,4-dimethoxybenzyl alcohol, veratryl alcohol, Ververatrol, 3,4-Dimethoxyphenylmethyl alcohol, (3,4-Dimethoxyphenyl)methanol |
Numbering system
CAS number:93-03-8
MDL number:MFCD00004638
EINECS number:202-212-0
RTECS number:None
BRN number:639388
PubChem number:24893258
Physical property data
1. Properties: viscous oily liquid.
2. Density (g/mL, 25/4℃): 1.157
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (oC): Undetermined
5. Boiling point (oC, normal pressure): 297
6. Boiling point (oC, 5.2kPa): Undetermined
7. Refractive index: 1.5520
8. Flash point (oC): >112
9. Specific rotation (o): Undetermined
10. Autoignition point or ignition temperature (oC): Undetermined
11. Vapor pressure (kPa, 25oC): Undetermined
12. Saturated vapor pressure ( kPa, 60oC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (oC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/ V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Soluble in organic solvents such as ethanol and ether.
Toxicological data
None
Ecological data
Water hazard level 1 (self-assessment via list) is slightly hazardous to water.
Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways, or sewage systems.
Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 46.06
2. Molar volume (cm3/mol): 151.2
3. Isotonic specific volume (90.2K ): 374.1
4. Surface tension (dyne/cm): 37.4
5. Polarizability (10-24cm3): 18.26
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 0.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Mutual Number of isomers:
6. Topological molecular polar surface area (TPSA): 38.7
7. Number of heavy atoms: 12
8. Surface charge : 0
9. Complexity: 127
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. The number of uncertain atomic stereocenters: 0
13. The number of determined chemical bond stereocenters: 0
14. The number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be kept sealed.
Synthesis method
None
Purpose
Used in organic synthesis as a protective group for guanosine residues in oligonucleotide synthesis.
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