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| | 1-Chloro-2,2-dimethylpropane Basic information |
| Product Name: | 1-Chloro-2,2-dimethylpropane | | Synonyms: | Pentylchloridecolorlessliq;neo-Pentylchloride,98+%;2,2-Dimethylpropyl Chloride
Neopentyl Chloride;1-chloro-2,2-dimethyl-propan;propane,1-chloro-2,2-dimethyl-;t-C4H9CH2Cl;2,2-DIMETHYLPROPYL CHLORIDE;1-CHLORO-2,2-DIMETHYLPROPANE, 98%1-CHLORO-2,2-DIMETHYLPROPANE, 98%1-CHLORO-2,2-DIMETHYLPROPANE, 98%1-CHLORO-2,2-DIMETHYLPROPANE, 98% | | CAS: | 753-89-9 | | MF: | C5H11Cl | | MW: | 106.59 | | EINECS: | 212-040-8 | | Product Categories: | halogenated alkane;Alkyl;Halogenated Hydrocarbons;Organic Building Blocks | | Mol File: | 753-89-9.mol |  |
| | 1-Chloro-2,2-dimethylpropane Chemical Properties |
| Melting point | −20 °C(lit.) | | Boiling point | 84-85 °C(lit.) | | density | 0.866 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.4039(lit.) | | Fp | 16 °F | | storage temp. | Storage temp. 2-8°C | | form | liquid | | Specific Gravity | 0.866 | | color | colorless | | Water Solubility | Miscible with organic solvents. Immiscible with water. | | BRN | 1730985 | | InChI | 1S/C5H11Cl/c1-5(2,3)4-6/h4H2,1-3H3 | | InChIKey | JEKYMVBQWWZVHO-UHFFFAOYSA-N | | SMILES | CC(C)(C)CCl | | CAS DataBase Reference | 753-89-9(CAS DataBase Reference) | | EPA Substance Registry System | 1-Chloro-2,2-dimethylpropane (753-89-9) |
| Hazard Codes | F,Xn | | Risk Statements | 11-22-43 | | Safety Statements | 16-36/37 | | RIDADR | UN 1993 3/PG 2 | | WGK Germany | 2 | | TSCA | TSCA listed | | HazardClass | 3 | | PackingGroup | II | | HS Code | 2903190090 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 4 Oral
Flam. Liq. 2
Resp. Sens. 1
Skin Sens. 1 |
| | 1-Chloro-2,2-dimethylpropane Usage And Synthesis |
| Uses | 1-Chloro-2,2-dimethylpropane is used as a reactant in the SN2 reaction for alkyl chlorides with Cl-; IMOMO(Integrated MO MO) method for large systems. | | Uses | 1-Chloro-2,2-dimethylpropane was used as a substrate to perform the quantum mechanics calculations on LinB (a 33-kDa haloalkane dehalogenase from Sphingomonas paucimobilis UT26) to study which active site conformations and protonation states were eligible to result in catalysis. |
| | 1-Chloro-2,2-dimethylpropane Preparation Products And Raw materials |
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