CAS No.26214-68-6,1-METHYLPYRROLE-2-CARBONYL CHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26214-68-6
Name:	1-METHYLPYRROLE-2-CARBONYL CHLORIDE
Article Data:	38

Formula:	C₆H₆ClNO
Molecular Weight:	143.573
Synonyms:	Pyrrole-2-carbonylchloride, 1-methyl- (8CI);1-Methyl-1H-pyrrole-2-carbonyl chloride;1-Methyl-1H-pyrrole-2-carboxylic acid chloride;1-Methyl-2-pyrrolylcarbonylchloride;1-Methylpyrrole-2-carbonyl chloride;N-Methylpyrrole-2-carbonylchloride;
Density:	1.229 g/cm³
Boiling Point:	206.976 °C at 760 mmHg
Flash Point:	78.977 °C
Solubility:	Reacts with water.
Hazard Symbols:	C
Risk Codes:	36/37/38-34-29-14
Safety:	26-36/37/39-8-45-30-23
Transport Information:	3265
PSA:	22.00000
LogP:	1.40410

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Specification

The CAS register number of 1-Methyl-1H-pyrrole-2-carbonyl chloride is 26214-68-6. It also can be called as 1H-Pyrrole-2-carbonylchloride, 1-methyl- and the IUPAC name about this chemical is 1-methylpyrrole-2-carbonyl chloride. The molecular formula about this chemical is C₆H₆ClNO and the molecular weight is 143.57.

Physical properties about 1-Methyl-1H-pyrrole-2-carbonyl chloride are: (1)ACD/LogP: 1.62; (2)ACD/LogD (pH 5.5): 1.616; (3)ACD/LogD (pH 7.4): 1.616; (4)ACD/BCF (pH 5.5): 9.955; (5)ACD/BCF (pH 7.4): 9.955; (6)ACD/KOC (pH 5.5): 180.31; (7)ACD/KOC (pH 7.4): 180.31; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 22Å²; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 36.867 cm³; (13)Molar Volume: 116.861 cm³; (14)Polarizability: 14.615x10^-24cm³; (15)Surface Tension: 39.153 dyne/cm; (16)Enthalpy of Vaporization: 44.322 kJ/mol; (17)Boiling Point: 206.976 °C at 760 mmHg; (18)Vapour Pressure: 0.231 mmHg at 25°C.

Uses of 1-Methyl-1H-pyrrole-2-carbonyl chloride: it can be used to produce [(1-methyl-2-pyrrolyl)carbonyl]trimethylsilane with hexamethyl-disilane at heating. This reaction will need reagent (p-allyl-PdCl)₂, P(OEt)₃ and solvent toluene with reaction time of 6 hours. The yield is about 50%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin snd it can cause burns, it reacts violently with water, contact with water liberates toxic gas. When you are using it, wear suitable protective clothing, gloves and eye/face protection, whatever, you need keep container dry and never add water to this product. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice and in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1cccc1C(=O)Cl
(2)InChI: InChI=1/C6H6ClNO/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3
(3)InChIKey: JOYDZQJINHJNPM-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H6ClNO/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3
(5)Std. InChIKey: JOYDZQJINHJNPM-UHFFFAOYSA-N