1-methyl-1H-pyrazole-5-sulfonyl chloride, 95%

Name: 1-methyl-1H-pyrazole-5-sulfonyl chloride
Brand: Chempure

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CAS Number

1020721-61-2

Molecular Weight

180.6127

Formula

C4H5ClN2O2S

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About this item

IUPAC name	2-methylpyrazole-3-sulfonyl chloride
canonical smiles	CN1C(=CC=N1)S(=O)(=O)Cl
inchi	InChI=1S/C4H5ClN2O2S/c1-7-4(2-3-6-7)10(5,8)9/h2-3H,1H3
inchi key	OWLKLUGPVSESBX-UHFFFAOYSA-N
molecular formula	C4H5ClN2O2S
synonyms	1-Methyl-1H-pyrazole-5-sulfonyl chloride 1020721-61-2 2-Methyl-2H-pyrazole-3-sulfonyl chloride 2-methylpyrazole-3-sulfonyl chloride 1-Methyl-1H-pyrazole-5-sulphonyl chloride

Computed Properties

Molecular Weight:	180.61 g/mol
XLogP3:	0.6
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	1
Exact Mass:	179.9760263 g/mol
Monoisotopic Mass:	179.9760263 g/mol
Topological Polar Surface Area:	60.3 Å²
Heavy Atom Count:	10
Formal Charge:	0
Complexity:	210
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	Danger
hazard classes and categories	Skin Corr. 1B (75%) Skin Sens. 1 (25%) Eye Dam. 1 (25%) Eye Irrit. 2A (25%) STOT SE 3 (25%)
precautionary statement codes	P260, P261, P264, P264+P265, P271, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501
hazard statements	H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H317 (25%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (25%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (25%): 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: AR1219

1-methyl-1H-pyrazole-5-sulfonyl chloride, 95%

Product No: AR1219

About this item

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Product No: AR1219

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?