CAS 104-85-8 p-Tolunitrile - Materials / Alfa Chemistry

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p-Tolunitrile

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Catalog Number

ACM104858

CAS Number

104-85-8

Product Name

p-Tolunitrile

Structure

Category

Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials

Description

P-tolunitrile is a beige solid at 62.6° F. (NTP, 1992)

IUPAC Name

4-methylbenzonitrile

Molecular Weight

117.15g/mol

Molecular Formula

C8H7N

Canonical SMILES

CC1=CC=C(C=C1)C#N

InChI

InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3

InChI Key

VCZNNAKNUVJVGX-UHFFFAOYSA-N

Boiling Point

423.7 °F at 760 mm Hg (NTP, 1992);217.0 °C

Melting Point

85.1 °F (NTP, 1992);29.5 °C

Flash Point

185 °F (NTP, 1992)

Density

0.9805 at 86 °F (NTP, 1992)

Solubility

less than 1 mg/mL at 63° F (NTP, 1992)

Complexity

123

Covalently-Bonded Unit Count

EC Number

203-244-8

Exact Mass

117.057849g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

117.057849g/mol

NSC Number

70985

Rotatable Bond Count

UNII

H20555V8NO

UN Number

3273

Vapor Pressure

0.31 mmHg

XLogP3

2.4

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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