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2-Butenoyl chloride,2-methyl-, (2E)-

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Name

2-Butenoyl chloride,2-methyl-, (2E)-

EINECS 252-659-0
CAS No. 35660-94-7 Density 1.049 g/cm3
PSA 17.07000 LogP 1.71800
Solubility N/A Melting Point N/A
Formula C5H7ClO Boiling Point 147 °C at 760 mmHg
Molecular Weight 118.563 Flash Point 44 °C
Transport Information UN 3265 Appearance N/A
Safety 16-26-36/37/39-45 Risk Codes 10-23/24/25-34
Molecular Structure Molecular Structure of 35660-94-7 (TIGLOYL CHLORIDE) Hazard Symbols T
Synonyms

2-Butenoylchloride, 2-methyl-, (E)-;Tigloyl chloride (6CI,7CI);(2E)-2-Methyl-2-butenoylchloride;(E)-2-Methyl-2-butenoyl chloride;

Article Data 80

2-Butenoyl chloride,2-methyl-, (2E)- Specification

The 2-Butenoyl chloride, 2-methyl-, (2E)-, with the CAS registry number 35660-94-7, is also known as (2E)-2-Methylbut-2-enoyl chloride. Its EINECS registry number is 252-659-0. This chemical's molecular formula is C5H7ClO and molecular weight is 118.56. What's more, its IUPAC name is (E)-2-Methylbut-2-enoyl chloride. In addition, it must be stored in airtight containers and placed in a dry, cool place at refrigerator. Besides, you should ensure the work place is well-ventilated.

Physical properties about 2-Butenoyl chloride, 2-methyl-, (2E)- are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.55; (6)ACD/BCF (pH 7.4): 24.55; (7)ACD/KOC (pH 5.5): 344.01; (8)ACD/KOC (pH 7.4): 344.01; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 29.99 cm3; (15)Molar Volume: 112.9 cm3; (16)Polarizability: 11.88×10-24 cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 1.049 g/cm3; (19)Flash Point: 44 °C; (20)Enthalpy of Vaporization: 38.4 kJ/mol; (21)Boiling Point: 147 °C at 760 mmHg; (22)Vapour Pressure: 4.52 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is toxic by inhalation, in contact with skin and if swallowed. In addition, this chemical may cause burns. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(=O)/C(=C/C)C
(2) InChI: InChI=1/C5H7ClO/c1-3-4(2)5(6)7/h3H,1-2H3/b4-3+
(3) InChIKey: TUNLYEHIVPWOHK-ONEGZZNKBL

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