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753-89-9

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753-89-9 Structure

753-89-9 Structure
IdentificationMore
[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
Chemical PropertiesBack Directory
[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
[form ]

liquid
[color ]

colorless
[Specific Gravity]

0.866
[Water Solubility ]

Miscible with organic solvents. Immiscible with water.
[BRN ]

1730985
[CAS DataBase Reference]

753-89-9(CAS DataBase Reference)
[EPA Substance Registry System]

1-Chloro-2,2-dimethylpropane (753-89-9)
Safety DataBack 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
[HS Code ]

2903190090
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

1-CHLORO-2,2-DIMETHYLPROPANE(753-89-9)MS
1-CHLORO-2,2-DIMETHYLPROPANE(753-89-9)1HNMR
1-CHLORO-2,2-DIMETHYLPROPANE(753-89-9)IR1
1-CHLORO-2,2-DIMETHYLPROPANE(753-89-9)IR2
1-CHLORO-2,2-DIMETHYLPROPANE(753-89-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Neopentyl chloride, 98%(753-89-9)
[Sigma Aldrich]

753-89-9(sigmaaldrich)
[TCI AMERICA]

1-Chloro-2,2-dimethylpropane,>95.0%(GC)(753-89-9)
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