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Home> Encyclopedia > Hot Product Listed 4   > 4-Hydroxypyridine
626-64-2 structure

4-Hydroxypyridine

Iupac Name:1H-pyridin-4-one
CAS No.:626-64-2
EINECS(EC#): 210-958-3
Molecular Weight:95.09930
Molecular Formula:C5H5NO (isomer)
Names and Identifiers
Synonyms

1H-Pyridin-4-ol 4HYDROXYPRIDINE 4-Hydroxypyride 4-hydroxy-pyridine 4-hydroxypyridone 4-oxypyridine 4-PYRIDINOL Hydroxypyridinoxid p-hydroxy pyridine PYRIDIN-4-OL

Inchi
InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChkey
GCNTZFIIOFTKIY-UHFFFAOYSA-N
Canonical Smiles
C1=CNC=CC1=O
Properties
Appearance
Beige.
Density
1.111 g/cm3
Melting Point
150-151°C(lit.)
Boiling Point
230-235°C12mm Hg(lit.)
Vapour
0.265mmHg at 25°C
Refractive Index
1.513
Flash Point
221 °C
Solubility
Water Solubility : Soluble
Stability
Stable under normal temperatures and pressures.
HS Code
2933399090
Storage temp
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
S26-S36-S37/39
Safety
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable protective clothing, gloves and eye/face protection
WGK Germany:3
HazardClass:IRRITANT
Hazard Note:Harmful/Irritant
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UU7701450
CHEMICAL NAME :
4-Pyridinol
CAS REGISTRY NUMBER :
626-64-2
BEILSTEIN REFERENCE NO. :
0105800
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H5-N-O
MOLECULAR WEIGHT :
95.11
WISWESSER LINE NOTATION :
T6NJ DQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
923 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TOXIA6 Toxicon. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.1- 1962- Volume(issue)/page/year: 23,815,1985
Specification

Beige crystalline powder
Safety Statements:26-36-37/39
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing
37/39:Wear suitable protective clothing, gloves and eye/face protection
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Serious eye damage, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H318 Causes serious eye damage

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:95.09930g/mol
  • Molecular Formula:C5H5NO
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.3
  • Exact Mass:95.037
  • Monoisotopic Mass:95.037
  • Complexity:121
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:29.1A^2
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBiIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQAAAACATBgAQAAALAAACI AKBWQAAAAAAgAgAIAIAIAEgAAAAAAAAAAAAAAAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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