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4-Cyanophenol

4-Cyanophenol structure

CAS No:
767-00-0
Formula:
C7H5NO
Chemical Name:
4-Cyanophenol
Synonyms:
Benzonitrile,4-hydroxy-;Benzonitrile,p-hydroxy-;4-Hydroxybenzonitrile;p-Cyanophenol;p-Hydroxybenzonitrile;4-Cyanophenol;NSC 400524;4-Hydroxycyanobenzene
Categories:
Pharmaceutical Intermediates > Antipsychotics

Description

white crystalline powder or chips

4-cyanophenol is a member of phenols. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor. It derives from a benzonitrile.

4-Cyanophenol Basic Attributes

Molecular Weight：

119.12100

Exact Mass：

119.12

EC Number：

212-175-2

UNII：

1S13529YJU

NSC Number：

400524

DSSTox ID：

DTXSID9052509

HScode：

29269095

Characteristics

PSA：

44.02000

XLogP3：

1.6

Appearance：

white crystalline powder or chips

Density：

1.22 g/cm3

Melting Point：

110-113 °C

Boiling Point：

148 °C @ Press: 1 Torr

Flash Point：

123.9ºC

Refractive Index：

1.591

Water Solubility：

H2O: slightly soluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R22; R36/37/38

safety instructions：

S24/25-S45

RTECS Number：

DI4375000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 59 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Bioconcentration：

8.13

Drug Information

MeSH Entry Terms：

4-cyanophenol

4-Cyanophenol Use and Manufacturing

Uses

P-Hydroxybenzonitrile, or p-cyanophenol, is an intermediate of the herbicide bromoxynil and the insecticide pyraclonitrile and benzonitrile. Organically synthesized intermediates for the production of pesticides fennitrile and benzonitrile. Used in the production of liquid crystal, pharmaceuticals, dyes, pesticide intermediates, etc.; it is an important fine chemical raw material and intermediate, widely used in the synthesis of a variety of pharmaceuticals, spices, pesticides, liquid crystal materials and corrosion inhibitors, etc. P-hydroxybenzonitrile (p-hydroxybenzonitrile) is an intermediate of organophosphorus insecticides pyraclonitrile and benzonitrile, an intermediate of the herbicide bromoxynil, and an intermediate of liquid crystal materials and perfumes. It can be used to synthesize liquid crystal materials, pesticides, perfumes, etc.; used to produce liquid crystals, medicines, dyes, pesticides, etc.; pharmaceutical intermediates; liquid crystal material intermediates, perfume intermediates.

Manufacturing Info：

Benzonitrile, 4-hydroxy-: ACTIVE

Computed Properties

Molecular Weight:119.12
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:119.037113783
Monoisotopic Mass:119.037113783
Topological Polar Surface Area:44
Heavy Atom Count:9
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

2-Methoxyethanol

Benzyl benzoate

Hydroxylamine hydrochloride

Urea

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