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| CAS No.: | 126-11-4 |
|---|---|
| Name: | Tris(hydroxymethyl)nitromethane |
| Molecular Structure: | |
|
|
|
| Formula: | C4H9NO5 |
| Molecular Weight: | 151.119 |
| Synonyms: | 1,3-Dihydroxy-2-(hydroxymethyl)-2-nitropropane;1-Nitro-1,1,1-tris(hydroxymethyl)methane;2-(Hydroxymethyl)-2-nitro-1,3-propanediol;2-(Hydroxymethyl)-2-nitropropanediol;2-Nitro-2-(hydroxymethyl)-1,3-propanediol;Isobutylglycerol, nitro-;NSC 17675;NSC 2344;Nitroisobutylglycerol;Nitrotrimethylolmethane;Nitrotris(hydroxymethyl)methane;Trihydroxymethylnitromethane;Trimethylolnitromethane;Tris Nitro; |
| EINECS: | 204-769-5 |
| Density: | 1.512 g/cm3 |
| Melting Point: | 160 °C (dec.)(lit.) |
| Boiling Point: | 445.6 °C at 760 mmHg |
| Flash Point: | 209.3 °C |
| Solubility: | It is soluble in water. |
| Appearance: | yellow Crystalline Powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-36/37/38-20/21/22 |
| Safety: | 26-36 |
| PSA: | 106.51000 |
| LogP: | -1.49800 |
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- 50-00-0
formaldehyd
- 75-52-5
nitromethane
A
- 1794-90-7
2-nitropropane-1,3-diol
B
- 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol
| Conditions | Yield |
|---|---|
| With potassium fluoride; tetrabutylammomium bromide In isopropyl alcohol at 18 - 22℃; for 72h; | A 8% B 83% |
- 56-23-5
tetrachloromethane
- 50-00-0
formaldehyd
- 35223-67-7
2,4,4-trimethyl-1-nitro-pentan-2-ol
- 64-17-5
ethanol
A
- 590-50-1
4,4-dimethyl-pentan-2-one
B
- 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol
- 50-00-0
formaldehyd
- 75-52-5
nitromethane
A
- 625-48-9
2-nitro-1-ethanol
B
- 1794-90-7
2-nitropropane-1,3-diol
C
- 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol
- 50-00-0
formaldehyd
- 74612-09-2
dl-2-hydroxy-3-nitropropanoic acid
- 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol
| Conditions | Yield |
|---|---|
| With potassium carbonate at 25℃; | |
| With sodium hydroxide; ethyl acetate |
| Conditions | Yield |
|---|---|
| With potassium carbonate at 25℃; | |
| With sodium hydroxide; ethyl acetate |
| Conditions | Yield |
|---|---|
| With alkali |
| Conditions | Yield |
|---|---|
| With potassium carbonate at 25℃; | |
| With sodium hydroxide; ethyl acetate |
- 50-00-0
formaldehyd
- 623-11-0
1-methyl-4-nitrosobenzene
- 3164-73-6
1-nitromethylcyclohexanol
A
- 108-94-1
cyclohexanone
B
- 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol
- 50-00-0
formaldehyd
- 3164-73-6
1-nitromethylcyclohexanol
- 126-11-4
2-hydroxymethyl-2-nitro-propane-1,3-diol
| Conditions | Yield |
|---|---|
| With sodium hydroxide; water |
- 3388-04-32-(3,4-Epoxycyclohexyl)ethyl]trimethoxysilane
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- 55965-84-9Kathon 886
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- 229177-52-0(1S-cis)-4-Amino-2-cyclopentene-1-methanol D-hydrogen tatrate
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
Product Name: Tris(hydroxymethyl)nitromethane (CAS NO.126-11-4)
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MF: C4H9NO5
MW: 151.12g/mol
Appearance: Odorless, white crystalline powder
Solubility in water: Soluble
Index of Refraction: 1.536
EINECS: 204-769-5
Density: 1.512 g/ml
Flash Point: 209.3 °C
Boiling Point: 445.6 °C
Melting Point: 160 °C
Merck: 14,9753
BRN: 742427
Index of Refraction: 1.536
Molar Refractivity: 31.17 cm3
Molar Volume: 99.9 cm3
Surface Tension: 76.1 dyne/cm
Enthalpy of Vaporization: 81.19 kJ/mol
Vapour Pressure: 8.21E-10 mmHg at 25°C
XLogP3-AA: -2.2
H-Bond Donor: 3
H-Bond Acceptor: 5
Structure Descriptors of Tris(hydroxymethyl)nitromethane (CAS NO.126-11-4):
IUPAC Name: 2-(hydroxymethyl)-2-nitropropane-1,3-diol
Canonical SMILES: C(C(CO)(CO)[N+](=O)[O-])O
InChI: InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
InChIKey: OLQJQHSAWMFDJE-UHFFFAOYSA-N
Uses
Tris(hydroxymethyl)nitromethane (CAS NO.126-11-4) is used as inanimate objects with the disinfectant and bactericide. Used to follow the industrial water system, cut-elimination oil, non-protein gel and the slurry to inhibit multiplication of bacteria. Preparation of amine intermediates of drug relief.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 4gm/kg (4000mg/kg) | Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977. | |
| mouse | LD50 | oral | 1900mg/kg (1900mg/kg) | Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1198, 1966. | |
| rabbit | LDLo | oral | 250mg/kg (250mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: COMA | Journal of Industrial Hygiene and Toxicology. Vol. 22, Pg. 315, 1940. |
| rat | LD50 | oral | 1900mg/kg (1900mg/kg) | Industrial Medicine and Surgery. Vol. 39, Pg. 56, 1970. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by ingestion. Moderately toxic by intraperitoneal route. Probably an irritant. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS.
Safety information of Tris(hydroxymethyl)nitromethane (CAS NO.126-11-4):
Hazard Codes 
Xn
Risk Statements
36/37/38 Irritating to eyes, respiratory system and skin
20/21/22 Harmful by inhalation, in contact with skin and if swallowed
Safety Statements
26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36 Wear suitable protective clothing
WGK Germany 3
RTECS TY7350000
F 4.10
Specification
Tris(hydroxymethyl)nitromethane , its CAS NO. is 126-11-4, the synonyms are 1,1,1-Tris(hydroxymethyl)nitromethane ; 1,3-Propanediol,2-(hydroxymethyl)-2-nitro- ; 2-(Hydroxymethyl)-2-nitro-3-propanediol ; 2-(Hydroxymethyl)-2-nitropropane-1,3-diol ; 2-(Hydroxymethyl)-2-nitropropanediol ; Cimcool wafers . Keep containers closed when not in use.Whash thoroughly after handling.Chemical splash goggles in compliance with OSHA regulations are advised; however, OSHA regulations also permit other type safety glasses. Whre chemical resistant gloves. To prevent repeated or prolonged skin contact, wear impervious clothing and boots.