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Substance Name: 4-Cyanophenol
RN: 767-00-0
UNII: 1S13529YJU
InChIKey: CVNOWLNNPYYEOH-UHFFFAOYSA-N
Note
- Reversible monoamine oxidase inhibitor.
Molecular Formula
- C7-H5-N-O
Molecular Weight
- 119.122
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 4-Cyanophenol
Synonyms
- 4-Cyanophenol
- 4-Hydroxybenzonitrile
- AI3-52392
- EINECS 212-175-2
- NSC 400524
- p-Cyanophenol
- p-Hydroxybenzonitrile
- UNII-1S13529YJU
Systematic Names
- 4-Hydroxybenzonitrile
- Benzonitrile, 4-hydroxy-
- Benzonitrile, p-hydroxy-
Registry Numbers
CAS Registry Number
- 767-00-0
FDA UNII
- 1S13529YJU
System Generated Number
- 0000767000
Structure Descriptors
InChI
1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9HInChIKey
CVNOWLNNPYYEOH-UHFFFAOYSA-NSmiles
c1(ccc(O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | National Technical Information Service. Vol. AD691-490, | |
| mouse | LD50 | oral | 450mg/kg (450mg/kg) | Annales Pharmaceutiques Francaises. Vol. 41, Pg. 391, 1983. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 110-113 | deg C | EXP | |
| pKa Dissociation Constant | 7.967 | (none) | 25 | EXP |
| log P (octanol-water) | 1.6 | (none) | EXP | |
| Water Solubility | 8980 | mg/L | 25 | EST |
| Vapor Pressure | 6.65E-03 | mm Hg | 25 | EST |
| Henry's Law Constant | 5.42E-09 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 6.02E-12 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.