1,1,1-TRICHLORO-2-METHYL-2-PROPANOL HEMIHYDRATE
Catalog No: FT-0605936
CAS No: 6001-64-5
- Molecular Formula: 372.9
- Formula Weight: C8H16Cl6O3
- Inchl Key: WRWLCXJYIMRJIN-UHFFFAOYSA-N
- Inchl: InChI=1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Warning |
|---|---|
| FW: | 372.929 |
| Density: | N/A |
| CAS: | 6001-64-5 |
| Bolling_Point: | 167ºC |
| Product_Name: | Chlorobutanol Hemihydrate |
| Melting_Point: | 75-79ºC |
| Flash_Point: | 100ºC |
| MF: | C4H9Cl3O2 |
| LogP: | 2.06320 |
|---|---|
| Flash_Point: | 100ºC |
| FW: | 372.929 |
| Bolling_Point: | 167ºC |
| Computational_Chemistry: | ['1 . XlogP 49 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 2 ', '4 . Rotatable Bond Count 3 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 422 ', '7 . Heavy Atom Count 23 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 416 ', '10 . Isotope Atom Count 0 ', '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'] |
| Melting_Point: | 75-79ºC |
| PSA: | 29.46000 |
| MF: | C4H9Cl3O2 |
| More_Info: | ['1 . Appearance Colourless 结晶体，具有樟脑气味 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）97 ', '5 . Boiling point（ºC,Atmospheric pressure）167 ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）100 ', '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 微Soluble in Water （１∶２５０），易Soluble in Ethanol （１∶１）甘油（１∶１０） Ethyl ether 氯仿及挥发油。１ｇ能Soluble in １ｍＬ Ethanol or １０ｍＬ甘油中，Soluble in Ethyl ether 石油醚丙酮氯仿冰醋酸油类。'] |
| Exact_Mass: | 369.923065 |
| Personal_Protective_Equipment: | dust mask type N95 (US);Eyeshields;Gloves |
|---|---|
| Hazard_Codes: | Xn:Harmful; |
| Risk_Statements(EU): | R22;R36/37/38 |
| Safety_Statements: | 26-36/37/39 |
| Symbol: | Warning |
| RIDADR: | NONH for all modes of transport |
| Warning_Statement: | P301 + P312 + P330 |
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