Carbonochloridicacid, C,C'-(2,2-dimethyl-1,3-propanediyl) ester supplier

Name
2,2-dimethylpropane-1,3-diyl bis(chloroformate)
EINECS 229-997-2
CAS No. 6892-17-7
Density 1.317 g/cm³
Solubility
Melting Point
Formula C₇H₁₀Cl₂O₄
Boiling Point 255.4 °C at 760 mmHg
Molecular Weight 229.06
Flash Point 100.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbonochloridicacid, 2,2-dimethyl-1,3-propanediyl ester (9CI);Formic acid, chloro-,2,2-dimethyltrimethylene ester (6CI,8CI);Formic acid, chloro-, diester with2,2-dimethyl-1,3-propanediol (7CI);1,3-Propanediol, 2,2-dimethyl-,bis(chloroformate) (7CI);2,2-Dimethyl-1,3-propanediol bis(chloroformate);2,2-Dimethylpropylene bis(chloroformate);2,2-Dimethyltrimethylenebis(chloroformate);
PSA 52.60000
LogP 2.76340

Carbonochloridicacid, C,C'-(2,2-dimethyl-1,3-propanediyl) ester Specification

This chemical is called Carbonochloridicacid, C,C'-(2,2-dimethyl-1,3-propanediyl) ester, and its systematic name is 2,2-Dimethylpropane-1,3-diyl dicarbonochloridate. With the molecular formula of C₇H₁₀Cl₂O₄, its molecular weight is 229.06. The CAS registry number of the chemical is 6892-17-7.

Other characteristics of Carbonochloridicacid, C,C'-(2,2-dimethyl-1,3-propanediyl) ester can be summarised as followings: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.82; (4)ACD/LogD (pH 7.4): 2.82; (5)ACD/BCF (pH 5.5): 82.33; (6)ACD/BCF (pH 7.4): 82.33; (7)ACD/KOC (pH 5.5): 818.01; (8)ACD/KOC (pH 7.4): 818.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 47.69 cm³; (15)Molar Volume: 173.8 cm³; (16)Polarizability: 18.9×10^-24cm³; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.317 g/cm³; (19)Flash Point: 100.3 °C; (20)Enthalpy of Vaporization: 49.28 kJ/mol; (21)Boiling Point: 255.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0164 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Cl)OCC(COC(Cl)=O)(C)C
2.InChI: InChI=1/C7H10Cl2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3
3.InChIKey: ROPHHOGKCLJYID-UHFFFAOYAA
4.Std. InChI: InChI=1S/C7H10Cl2O4/c1-7(2,3-12-5(8)10)4-13-6(9)11/h3-4H2,1-2H3
5.Std. InChIKey: ROPHHOGKCLJYID-UHFFFAOYSA-N

Product Name

2,2-dimethylpropane-1,3-diyl bis(chloroformate)

Carbonochloridicacid, C,C'-(2,2-dimethyl-1,3-propanediyl) ester Specification

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