Acetonitrile,2,2-dibromo-2-chloro- supplier

Name
2,2-dibromo-2-chloro-acetonitrile
EINECS
CAS No. 144772-39-4
Article Data1
CAS DataBase
Density 2.515 g/cm³
Solubility
Melting Point
Formula C₂Br₂ClN
Boiling Point 118.2 °C at 760 mmHg
Molecular Weight 233.29
Flash Point 25.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetonitrile,dibromochloro- (9CI);Dibromochloroacetonitrile;
PSA 23.79000
LogP 2.19238

Acetonitrile,2,2-dibromo-2-chloro- Specification

The Acetonitrile,2,2-dibromo-2-chloro-, with the CAS registry number 144772-39-4, is also known as Dibromochloroacetonitrile and Dibromo(chloro)acetonitrile. This chemical's molecular formula is C₂Br₂ClN and molecular weight is 233.2891. What's more, its IUPAC name is 2,2-Dibromo-2-chloroacetonitrile.

Physical properties about Acetonitrile,2,2-dibromo-2-chloro- are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.14; (6)ACD/BCF (pH 7.4): 87.14; (7)ACD/KOC (pH 5.5): 851.94; (8)ACD/KOC (pH 7.4): 851.94; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 31.5 cm³; (15)Molar Volume: 92.7 cm³; (16)Polarizability: 12.49×10^-24cm³; (17)Surface Tension: 59.7 dyne/cm; (18)Density: 2.515 g/cm³; (19)Flash Point: 25.3 °C; (20)Enthalpy of Vaporization: 35.65 kJ/mol; (21)Boiling Point: 118.2 °C at 760 mmHg; (22)Vapour Pressure: 16.8 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC(Br)(Cl)C#N
(2) InChI: InChI=1/C2Br2ClN/c3-2(4,5)1-6
(3) InChIKey: RARYQRXQKOVEPM-UHFFFAOYAL

Product Name

2,2-dibromo-2-chloro-acetonitrile

Acetonitrile,2,2-dibromo-2-chloro- Specification

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