CAS No.930-87-0,1,2,5-TRIMETHYLPYRROLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	930-87-0
Name:	1,2,5-TRIMETHYLPYRROLE
Article Data:	23

Formula:	C₇H₁₁N
Molecular Weight:	109.171
Synonyms:	Pyrrole,1,2,5-trimethyl- (6CI,7CI,8CI);1,2,5-Trimethylpyrrole;NSC 81220;
EINECS:	213-225-6
Density:	0.87 g/cm³
Melting Point:	1.5°C (estimate)
Boiling Point:	173 °C at 760 mmHg
Flash Point:	52.2 °C
Solubility:	Slightly soluble in water (2.2 g/L at 25°C).
Appearance:	clear yellow to brown liquid
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	16-26-36
Transport Information:	UN 1993 3
PSA:	4.93000
LogP:	1.64190

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Specification

The 1H-Pyrrole,1,2,5-trimethyl-, with the CAS registry number 930-87-0, is also known as 1,2,5-Trimethyl-1H-pyrrole. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Pyrroles. Its EINECS registry number is 213-225-6. This chemical's molecular formula is C₇H₁₁N and molecular weight is 109.16894. Its IUPAC name is called 1,2,5-trimethylpyrrole. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 1H-Pyrrole,1,2,5-trimethyl-: (1)ACD/LogP: 2.13; (2)ACD/LogD (pH 5.5): 2.13; (3)ACD/LogD (pH 7.4): 2.13; (4)ACD/BCF (pH 5.5): 24.49; (5)ACD/BCF (pH 7.4): 24.49; (6)ACD/KOC (pH 5.5): 343.4; (7)ACD/KOC (pH 7.4): 343.4; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.484; (10)Molar Refractivity: 35.65 cm³; (11)Molar Volume: 124.5 cm³; (12)Surface Tension: 26 dyne/cm; (13)Density: 0.87 g/cm³; (14)Flash Point: 52.2 °C; (15)Enthalpy of Vaporization: 39.26 kJ/mol; (16)Boiling Point: 173 °C at 760 mmHg; (17)Vapour Pressure: 1.73 mmHg at 25°C.

Uses of 1H-Pyrrole,1,2,5-trimethyl-: it can be used to produce 2-hydroxy-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)-propionic acid ethyl ester with 2-oxo-propionic acid ethyl ester at temperature of 20 °C. This reaction will need solvent CH₂Cl₂ with reaction time of 24 hours. The yield is about 46%.

1H-Pyrrole,1,2,5-trimethyl- can be used to produce 2-hydroxy-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)-propionic acid ethyl ester with 2-oxo-propionic acid ethyl ester

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=C(N1C)C
(2)InChI: InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3
(3)InChIKey: YRABRACUKBOTKB-UHFFFAOYSA-N