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29559-55-5

Basic Information
CAS No.: 29559-55-5
Name: 2,2-Dimethyl-1,3-dichloropropane
Article Data: 6
Molecular Structure:
Molecular Structure of 29559-55-5 (2,2-Dimethyl-1,3-dichloropropane)
Formula: C5H10Cl2
Molecular Weight: 141.04
Synonyms: Propane,2,2-bis(chloromethyl)- (8CI);1,3-Dichloro-2,2-dimethylpropane;1,3-Dichloroneopentane;
Density: 1.053 g/cm3
Melting Point: -75.05°C (estimate)
Boiling Point: 138.523 °C at 760 mmHg
Flash Point: 36.408 °C
Risk Codes: 10-36/37/38
Safety: 16-26-36
Transport Information: UN 1993
PSA: 0.00000
LogP: 2.49020
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Chemistry

Molecule structure of Propane,1,3-dichloro-2,2-dimethyl- (CAS NO.29559-55-5):

IUPAC Name: 1,3-Dichloro-2,2-dimethylpropane
Molecular Weight: 141.0389 [g/mol]
Molecular Formula: C5H10Cl2
XLogP3-AA: 2.6
Rotatable Bond Count: 2
Exact Mass: 140.015956
MonoIsotopic Mass: 140.015956
Heavy Atom Count: 7 
Index of Refraction: 1.434
Molar Refractivity: 34.87 cm3
Molar Volume: 133.8 cm3
Surface Tension: 26.2 dyne/cm
Density: 1.053 g/cm3
Flash Point: 36.4 °C
Enthalpy of Vaporization: 36.03 kJ/mol
Boiling Point: 138.5 °C at 760 mmHg
Vapour Pressure: 8.33 mmHg at 25 °C 
Canonical SMILES: CC(C)(CCl)CCl
InChI: InChI=1S/C5H10Cl2/c1-5(2,3-6)4-7/h3-4H2,1-2H3
InChIKey of Propane,1,3-dichloro-2,2-dimethyl- (CAS NO.29559-55-5): KTWNITKLQPCZSL-UHFFFAOYSA-N

Safety Profile

Risk Statements: 10-36/37/38
R10:Flammable. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 16-26-36
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RIDADR 1993 

Specification

 Propane,1,3-dichloro-2,2-dimethyl- (CAS NO.29559-55-5) is also named as 1,3-Dichloro-2,2-dimethylpropane ; 3-Chloro-2,2-dimethylpropaneyl chloride ; Neopentylene dichloride ; 2,2-Dimethyl-1,3-dichloropropane .