CAS No.24457-21-4,TERT-BUTYL 2-BROMOBUTYRATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24457-21-4
Name:	TERT-BUTYL 2-BROMOBUTYRATE
Article Data:	6

Formula:	C₈H₁₅BrO₂
Molecular Weight:	223.11
Synonyms:	Butanoic acid, 2-bromo-, 1,1-dimethylethyl ester;
Density:	1.256g/cm³
Boiling Point:	187.947 °C at 760 mmHg
Flash Point:	75.191 °C
Hazard Symbols:	R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:	R36/37/38
Safety:	S26-36/37/39
PSA:	26.30000
LogP:	2.50160

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Specification

The tert-Butyl 2-bromobutanoate with cas registry number of 24457-21-4, has the systematic name of tert-butyl 2-bromobutanoate. And it is also named Butanoic acid, 2-bromo-, 1,1-dimethylethyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 102; (6)ACD/BCF (pH 7.4): 102; (7)ACD/KOC (pH 5.5): 953; (8)ACD/KOC (pH 7.4): 953; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 48.543 cm³; (15)Molar Volume: 177.678 cm³; (16)Polarizability: 19.244×10^-24cm³; (17)Surface Tension: 31.156 dyne/cm; (18)Enthalpy of Vaporization: 42.416 kJ/mol; (19)Vapour Pressure: 0.614 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The tert-Butyl 2-bromobutanoate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)C(Br)CC;
(2)InChI: InChI=1/C8H15BrO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5H2,1-4H3;
(3)InChIKey: RIUJWUWLGXBICR-UHFFFAOYAZ;
(4)Std. InChI: InChI=1S/C8H15BrO2/c1-5-6(9)7(10)11-8(2,3)4/h6H,5H2,1-4H3;
(5)Std. InChIKey: RIUJWUWLGXBICR-UHFFFAOYSA-N