5-Pyrimidinecarboxylic acid, 4,6-dichloro, 98%

Name: 5-Pyrimidinecarboxylic acid, 4,6-dichloro
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

87600-98-4

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About this item

IUPAC name	4,6-dichloropyrimidine-5-carboxylic acid
inchi	InChI=1S/C5H2Cl2N2O2/c6-3-2(5(10)11)4(7)9-1-8-3/h1H,(H,10,11)
inchi key	KGBLYFGHJNGQBK-UHFFFAOYSA-N
molecular formula	C5H2Cl2N2O2
synonyms	87600-98-4 4,6-Dichloro-5-pyrimidinecarboxylic acid 4,6-DICHLOROPYRIMIDINE-5-CARBOXYLIC ACID 4,6-Dichloro-pyrimidine-5-carboxylic acid MFCD09909611

Computed Properties

Molecular Weight:	192.98 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	191.9493327 g/mol
Monoisotopic Mass:	191.9493327 g/mol
Topological Polar Surface Area:	63.1 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	157
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 (50%) 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 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (50%): 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 (50%): 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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*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!

Product No: CQ2310

5-Pyrimidinecarboxylic acid, 4,6-dichloro, 98%

Product No: CQ2310

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?