| Identification | More | [Name]
4-Cyanobenzoic acid | [CAS]
619-65-8 | [Synonyms]
4-CARBOXYBENZONITRILE
4-CYANOBENZOIC ACID
4-Cyanobenzoic acid p-Cyanobenzoic acid
P-CYANOBENZOIC ACID
RARECHEM AL BE 0074
TEREPHTHALIC ACID MONONITRILE
TIMTEC-BB SBB008570
4-cyanobenzoic
4-cyano-benzoicaci
Benzoic acid, p-cyano-
p-Carboxybenzonitrile
Terephthalic mononitrile
4-Cyanobenzoic acid,98%
4-Cyanobenzoic Acid/4-Carboxybenzonitrile
4-Cyanobenoic acid
Benzoic acid, 4-cyano-(9CI)
Cyanobenzoicacid | [EINECS(EC#)]
210-606-9 | [Molecular Formula]
C8H5NO2 | [MDL Number]
MFCD00002528 | [Molecular Weight]
147.13 | [MOL File]
619-65-8.mol |
| Chemical Properties | Back Directory | [Appearance]
white powder | [Melting point ]
219-221 °C (dec.)(lit.)
| [Boiling point ]
267.22°C (rough estimate) | [density ]
1.3067 (rough estimate) | [refractive index ]
1.5510 (estimate) | [storage temp. ]
Store below +30°C. | [solubility ]
Soluble in methanol. | [form ]
Crystalline Powder | [pka]
3.55(at 25℃) | [color ]
White to yellow-beige | [Stability:]
Stable. Incompatible with strong oxidizing agents, strong acids, strong bases. | [Water Solubility ]
1.2g/L | [Sensitive ]
Air Sensitive | [Detection Methods]
HPLC,NMR | [BRN ]
1862865 | [InChI]
1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11) | [InChIKey]
ADCUEPOHPCPMCE-UHFFFAOYSA-N | [LogP]
1.56 | [CAS DataBase Reference]
619-65-8(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzoic acid, 4-cyano-(619-65-8) | [EPA Substance Registry System]
Benzoic acid, 4-cyano- (619-65-8) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S22:Do not breathe dust . | [RIDADR ]
3276 | [WGK Germany ]
3
| [Hazard Note ]
Harmful/Irritant/Air Sensitive | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
4-Aminobenzoic acid-->Nickel sulfate-->Benzoic acid, 4-[(hydroxyimino)methyl]-, (E)- (9CI)-->4-(Hydroxymethyl)benzoic acid-->4-Iodobenzonitrile-->4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)BENZONITRILE-->4-CYANOBENZAMIDE-->4-(HYDROXYMETHYL)BENZONITRILE-->4-Cyanobenzyl bromide-->4-Formylbenzoic acid-->4-Acetylbenzonitrile-->4-Cyanobenzaldehyde-->p-Tolunitrile | [Preparation Products]
4-AMINOMETHYL-BENZAMIDE-->4-(Aminomethyl)benzoic acid-->4-Cyanobenzoyl chloride-->4-CYANOBENZOPHENONE-->3-(4-CYANO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER-->Benzoic acid, 4-cyano-, hydrazide (9CI)-->4-(2H-1,2,3,4-TETRAAZOL-5-YL)BENZOIC ACID |
| Hazard Information | Back Directory | [Chemical Properties]
white powder | [Uses]
An inhibitor. The studies show that 4-cyanobenzaldehyde and 4-cyanobenzoic acid can inhibit both the monophenolase activity and the diphenolase activity of mushroom tyrosinase. | [Synthesis Reference(s)]
Tetrahedron Letters, 31, p. 7223, 1990 DOI: 10.1016/S0040-4039(00)97285-X | [Purification Methods]
Crystallise the acid from water and dry it in a vacuum desiccator over Sicapent. [Beilstein 9 IV 3324.] |
|
|