ChemicalBook--->CAS DataBase List--->1711-11-1

1711-11-1

1711-11-1 Structure

1711-11-1 Structure
IdentificationBack Directory
[Name]

3-Cyanobenzoyl chloride
[CAS]

1711-11-1
[Synonyms]

3-CYANOBENZOYL CHLORIDE
3-Cyanobenzoyl chloride,98%
3-Cyanobenzoyl chloride 99%
3-(Chlorocarbonyl)benzonitrile
3-Cyanobenzoyl chloride≥ 98% (GC)
[Molecular Formula]

C8H4ClNO
[MDL Number]

MFCD00011545
[MOL File]

1711-11-1.mol
[Molecular Weight]

165.58
Chemical PropertiesBack Directory
[Appearance]

white to pale yellow crystalline mass or light
[Melting point ]

42-44 °C(lit.)
[Boiling point ]

125-129 °C11 mm Hg(lit.)
[density ]

1.2744 (rough estimate)
[refractive index ]

1.5430 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

Crystalline Mass or Crystalline Powder and Chunks
[color ]

White to pale yellow or light gray
[InChI]

InChI=1S/C8H4ClNO/c9-8(11)7-3-1-2-6(4-7)5-10/h1-4H
[InChIKey]

RPESZQVUWMFBEO-UHFFFAOYSA-N
[SMILES]

C(Cl)(=O)C1=CC=CC(C#N)=C1
Hazard InformationBack Directory
[Chemical Properties]

white to pale yellow crystalline mass or light
[Uses]

3-Cyanobenzoyl chloride was used in preparation of 3-cyanobenzoyl-glycine methyl ester and 6A,6D-bis[3-(aminomethyl)benzoyl-glycyl-amino]-6A,6D-dideoxy-β-cyclodextrin.
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

20/21/22-34-20/21/22/34
[Safety Statements ]

26-27-28-36/37/39-45-26/36/37/39/45
[RIDADR ]

UN 3261 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Hydrochloric acid-->Sulfuric acid-->Tetrahydrofuran-->Acetic acid-->N,N-Dimethylformamide-->Thionyl chloride-->Toluene-->Sodium carbonate-->Chromium(VI) oxide-->m-Tolunitrile-->3-Cyanobenzoic acid
[Preparation Products]

Benzamide, 3-cyano-N-methyl- (9CI)-->3-cyano-N-(prop-2-yn-1-yl)benzamide-->3-(4-Methylpiperazine-1-carbonyl)benzonitrile
Spectrum DetailBack Directory
[Spectrum Detail]

3-Cyanobenzoyl chloride(1711-11-1)1HNMR
3-Cyanobenzoyl chloride(1711-11-1)FT-IR
3-Cyanobenzoyl chloride(1711-11-1)IR
3-Cyanobenzoyl chloride(1711-11-1)Raman
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