| Identification | More | [Name]
1-CHLORO-2,2-DIMETHYLPROPANE | [CAS]
753-89-9 | [Synonyms]
1-CHLORO-2,2-DIMETHYLPROPANE
2,2-DIMETHYLPROPYL CHLORIDE
NEOPENTYL CHLORIDE
1-chloro-2,2-dimethyl-propan
propane,1-chloro-2,2-dimethyl-
t-C4H9CH2Cl
Pentylchloridecolorlessliq
neo-Pentylchloride,98+% | [EINECS(EC#)]
212-040-8 | [Molecular Formula]
C5H11Cl | [MDL Number]
MFCD00000941 | [Molecular Weight]
106.59 | [MOL File]
753-89-9.mol |
| Safety Data | Back Directory | [Hazard Codes ]
F,Xn | [Risk Statements ]
R11:Highly Flammable.
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact. | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S36/37:Wear suitable protective clothing and gloves . | [RIDADR ]
UN 1993 3/PG 2
| [WGK Germany ]
2
| [TSCA ]
Yes | [HazardClass ]
3 | [PackingGroup ]
II |
| Hazard Information | Back Directory | [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. | [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. |
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