CAS 767-00-0 4-Hydroxybenzonitrile - Materials / Alfa Chemistry

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4-Hydroxybenzonitrile

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Catalog Number

ACM767000-1

Product Name

4-Hydroxybenzonitrile

Structure

CAS

767-00-0

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-Cyanophenol

IUPAC Name

4-hydroxybenzonitrile

Molecular Weight

119.12

Molecular Formula

C7H5NO

Canonical SMILES

C1=CC(=CC=C1C#N)O

InChI

InChI=1S/C7H5NO/c8-5-6-1-3-7(9)4-2-6/h1-4,9H

InChI Key

CVNOWLNNPYYEOH-UHFFFAOYSA-N

Boiling Point

146 ºC 2mmHg

Melting Point

110-113 ºC

Purity

99%+

Density

1.1871 g/ml

Appearance

Off-white to beige-gray crystalline powder

Storage

Inert atmosphere. Room temperature.

Complexity

127

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

212-175-2

Exact Mass

119.0371

Formal Charge

Hazard Statements

H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

1.6 (LogP)

MDL Number

MFCD00002312

MeSH Entry Terms

4-cyanophenol;4-hydroxybenzonitrile;4-hydroxycyanobenzene

Monoisotopic Mass

119.0371

NSC Number

400524

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.

Rotatable Bond Count

Signal Word

Warning

Topological Polar Surface Area

44 Å²

UNII

1S13529YJU

XLogP3

1.6

MSDS

Download MSDS

COA