3,4-Dihydroxybenzonitrile , >98.0% , 17345-61-8

Synonym(s):
Protocatechuonitrile

CAS NO.：17345-61-8

Empirical Formula: C7H5NO2

Molecular Weight: 135.12

MDL number: MFCD00016436

EINECS: 241-367-9

PRODUCT Properties

• Melting point: 155-159 °C (lit.)
• Boiling point: 334.8±32.0 °C(Predicted)
• Density: 1.42±0.1 g/cm3(Predicted)
• vapor pressure: 0Pa at 20℃
• storage temp.: Keep in dark place,Sealed in dry,Room Temperature
• solubility: soluble in Methanol
• form: powder to crystal
• pka: 7.67±0.18(Predicted)
• color: White to Almost white
• Water Solubility: insoluble
• BRN: 2082204
• InChI: InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H
• InChIKey: NUWHYWYSMAPBHK-UHFFFAOYSA-N
• SMILES: C(#N)C1=CC=C(O)C(O)=C1
• LogP: 1.3 at 20℃
• CAS DataBase Reference: 17345-61-8(CAS DataBase Reference)

Description and Uses

3,4-Dihydroxybenzonitrile is mainly used to synthesize drugs containing thiazole, 2-oxazoline, imidazole, triazole and benzopyrimidine structures, such as quinazoline drugs for anticancer. In recent years, in the field of new materials, 3,4-dihydroxybenzonitrile has also been used in the synthesis of photosensitive materials.

Safety

• Symbol(GHS): GHS06,GHS07
• Signal word: Danger
• Hazard statements: H301-H315-H319-H302-H312-H331-H335
• Precautionary statements: P261-P304+P340-P305+P351+P338-P501a-P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501
• Hazard Codes: Xn,Xi
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 36/37-36/37/39-26-22
• RIDADR: UN3439
• WGK Germany: 3
• Hazard Note: Irritant
• 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)