1-(2-chloroethyl)-1H-pyrazole-4-carboxylic acid, 95%

Name: 1-(2-chloroethyl)-1H-pyrazole-4-carboxylic acid
Brand: Chempure

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CAS Number

1011404-53-7

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About this item

IUPAC name	1-(2-chloroethyl)pyrazole-4-carboxylic acid
inchi	InChI=1S/C6H7ClN2O2/c7-1-2-9-4-5(3-8-9)6(10)11/h3-4H,1-2H2,(H,10,11)
inchi key	WEYQTKWTPPRMNL-UHFFFAOYSA-N
molecular formula	C6H7ClN2O2
synonyms	1-(2-chloroethyl)-1H-pyrazole-4-carboxylic acid 1011404-53-7 1-(2-chloroethyl)pyrazole-4-carboxylic acid MFCD09028389 STK693404

Computed Properties

Molecular Weight:	174.58 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	174.0196052 g/mol
Monoisotopic Mass:	174.0196052 g/mol
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	11
Formal Charge:	0
Complexity:	154
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 (100%) 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AX4914

1-(2-chloroethyl)-1H-pyrazole-4-carboxylic acid, 95%

Product No: AX4914

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Product No: AX4914

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?