3-Acetylbenzonitrile , 98% , 6136-68-1

Synonym(s):
3′-Cyanoacetophenone

CAS NO.：6136-68-1

Empirical Formula: C9H7NO

Molecular Weight: 145.16

MDL number: MFCD00001806

EINECS: 228-110-6

PRODUCT Properties

• Melting point: 98-100 °C (lit.)
• Boiling point: 120 °C (5 mmHg)
• Density: 1.1555 (rough estimate)
• refractive index: 1.4500 (estimate)
• Flash point: 120°C/5mm
• storage temp.: Sealed in dry,Room Temperature
• solubility: 4g/l
• form: Powder
• color: Pale yellow-orange to brown
• Water Solubility: Insoluble in water.
• BRN: 2079629
• InChI: InChI=1S/C9H7NO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,1H3
• InChIKey: SBCFGFDAZCTSRH-UHFFFAOYSA-N
• SMILES: C(#N)C1=CC=CC(C(C)=O)=C1
• CAS DataBase Reference: 6136-68-1(CAS DataBase Reference)

Description and Uses

Preparation of (q2-2-Acetyl-4-cyanophenyl)tetra- carbonylmanganese by Reaction of 3-Acetylbenzonitrile with Benzylpentacarbonylmanganese. Four aromatic amidoximes were synthesized by reacting hydroxylamine with 1,3 -dicyanobenzene, 1,4- dicyanobenzene, 3-acetylbenzonitrile, and 4-acetylbenzonitrile. Darzens condensation of 3-acetylbenzonitrile provided aldehyde.

Safety

• Symbol(GHS): GHS06,GHS07
• Signal word: Warning
• Hazard statements: H302+H312+H332-H315-H319-H335-H301-H302-H312-H331
• Precautionary statements: P304+P340-P501a-P264-P270-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501-P261-P280-P305+P351+P338
• Hazard Codes: Xn,Xi
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39
• RIDADR: 3439
• WGK Germany: 3
• Hazard Note: Harmful/Irritant
• TSCA: T
• HazardClass: 6.1
• PackingGroup: III
• HS Code: 29269090
• Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
• Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)