CAS No.35660-94-7,TIGLOYL CHLORIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	35660-94-7
Name:	TIGLOYL CHLORIDE
Article Data:	80

Formula:	C₅H₇ClO
Molecular Weight:	118.563
Synonyms:	2-Butenoylchloride, 2-methyl-, (E)-;Tigloyl chloride (6CI,7CI);(2E)-2-Methyl-2-butenoylchloride;(E)-2-Methyl-2-butenoyl chloride;
EINECS:	252-659-0
Density:	1.049 g/cm³
Boiling Point:	147 °C at 760 mmHg
Flash Point:	44 °C
Hazard Symbols:	T
Risk Codes:	10-23/24/25-34
Safety:	16-26-36/37/39-45
Transport Information:	UN 3265
PSA:	17.07000
LogP:	1.71800

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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