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Product No: AR1084

1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 95%

Name: 1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
Brand: Chempure

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CAS Number

217073-76-2

Molecular Weight

220.2

Formula

C11H9FN2O2

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About this item

IUPAC name	1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
inchi	InChI=1S/C11H9FN2O2/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
inchi key	KBQWFOMDKNVSAD-UHFFFAOYSA-N
molecular formula	C11H9FN2O2
synonyms	1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid 217073-76-2 1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid MFCD02677737 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-methyl-

Computed Properties

Molecular Weight:	220.20 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	220.06480570 g/mol
Monoisotopic Mass:	220.06480570 g/mol
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	267
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (33.3%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid
inchi	InChI=1S/C11H9FN2O2/c1-7-10(11(15)16)6-13-14(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
inchi key	KBQWFOMDKNVSAD-UHFFFAOYSA-N
molecular formula	C11H9FN2O2
synonyms	1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid 217073-76-2 1-(4-fluorophenyl)-5-methylpyrazole-4-carboxylic acid MFCD02677737 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-methyl-

Computed Properties

Molecular Weight:	220.20 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	220.06480570 g/mol
Monoisotopic Mass:	220.06480570 g/mol
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	267
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (33.3%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: AR1084

1-(4-Fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid, 95%

Product No: AR1084

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AR1084

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?