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Home> Encyclopedia >   /  Antipyretic Analgesics and NSAIDs  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Laboratory Chemicals  /  Pharmaceuticals and Biochemicals
Antipyrine structure
Antipyrine structure

Antipyrine

Iupac Name:1,5-dimethyl-2-phenylpyrazol-3-one
CAS No.:60-80-0
Molecular Weight:188.23
Introduction: Analgesic; used to test hepatic drug-metabolizing activity.
1. Names and Identifiers
1.1 Name
Antipyrine
1.2 Synonyms

1,2-dihydro-1,5-dimethyl-2-phenyl-3h-pyrazol-3-on 1,5-Dimethyl1-2-phenyl-3-pyrazolone 2,3-Dimethyl-1-phenyl-5-pyrazolone Phenazone phenazone(pharmaceutical) Phenozone Phenyldimethyl isopropyl pyrazolone Phenylon Phenylone Pyrazophyl

1.3 CAS No.
60-80-0
1.4 CID
2206
1.5 EINECS(EC#)
200-486-6
1.6 Molecular Formula
C11H12N2O (isomer)
1.7 Inchi
InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
1.8 InChkey
VEQOALNAAJBPNY-UHFFFAOYSA-N
1.9 Canonical Smiles
CC1=CC(=O)N(N1C)C2=CC=CC=C2
1.10 Isomers Smiles
CC1=CC(=O)N(N1C)C2=CC=CC=C2
2. Properties
3.1 Density
1.109
3.2 Melting Point
109-113℃
3.3 Boiling Point
114 °C
3.4 Refractive Index
1.553
3.5 Flash Point
109.4°C
3.6 Appearance
colourless crystals
3.7 Chemical Properties
White Powder
3.8 Color/Form
White
3.9 Physical
Solid
3.10 pKa
pKa 1.4 (Uncertain)
3.11 Solubility
H2O: soluble1 gm in less than 1ml
3.12 Stability
Stable. Incompatible with ammonia, strong acids, alkalies, strong oxidizing agents, metallic salts, phenol.
3.13 StorageTemp
Refrigerator
3.14 Toxic Data
LD50 orally in rats: 1.8 g/kg (Hart)
3.15 Water Solubility
H2O: soluble1 gm in less than 1ml
3. Use and Manufacturing
4.1 Definition
ChEBI: A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at C-1 and C-5 and with a phenyl group at N-2.
4.2 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 137 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 1 of 137 companies. For more detailed information, please visit ECHA C&L website

Of the 14 notification(s) provided by 136 of 137 companies with hazard statement code(s):

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (77.94%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (62.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (77.94%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (77.21%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
4.3 Purification Methods
Antipyrine crystallises from EtOH/water mixture, *benzene, *benzene/pet ether or hot water (charcoal), and the crystals are dried under a vacuum. [Beilstein 24 H 27, 24 III/IV 75.] Antipyrine Preparation Products And Raw materials Raw materials
4.4 Safety Profile
A human Doison bv 1 ian unspecified route. Moderately toxic viaingestion, subcutaneous, and intravenousroutes. Questionable carcinogen withexperimental tumorigenic data. Mutationdata reported. When heated todecomposition it emits toxic fumes of NOx.
4.5 Storage
Ambient temperatures.
4.6 Usage
Analgesic; used to test hepatic drug-metabolizing activity.
4. Safety and Handling
5.1 Hazard Codes
Xn
5.2 Risk Statements
R22;R36/37/38
5.3 Safety Statements
S26;S37/39
5.4 HazardClass
6.1(b)
5.5 PackingGroup
III
5.6 Transport
UN 3249
5.7 Safety
Hazard Codes:Xn
Risk Statements:22-36/37/38
22:Harmful if swallowed
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
RIDADR:3249
WGK Germany:1
HazardClass:6.1(b)
PackingGroup:III
5.8 Specification

White Powder
usageEng:Analgesic
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
5.9 Toxicity
LD50 orally in rats: 1.8 g/kg (Hart)
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

9. Computational chemical data
  • Molecular Weight:188.23g/mol
  • Molecular Formula:C11H12N2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:188.094963011
  • Monoisotopic Mass:188.094963011
  • Complexity:267
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:23.6
  • Heavy Atom Count:14
  • 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
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