3-Chloro-4-nitrobenzoic acid, 98%

Name: 3-Chloro-4-nitrobenzoic acid
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

39608-47-4

Molecular Weight

201.6

Formula

C7H4ClNO4

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About this item

IUPAC name	3-chloro-4-nitrobenzoic acid
inchi	InChI=1S/C7H4ClNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
inchi key	TZPGGFYKIOBMCN-UHFFFAOYSA-N
molecular formula	C7H4ClNO4
synonyms	3-Chloro-4-nitrobenzoic acid 39608-47-4 Benzoic acid, 3-chloro-4-nitro- DTXSID30334502 3-Chloro-4-nitrobenzoicacid

Computed Properties

Molecular Weight:	201.56 g/mol
XLogP3:	2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	1
Exact Mass:	200.9828853 g/mol
Monoisotopic Mass:	200.9828853 g/mol
Topological Polar Surface Area:	83.1 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	227
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 (66.7%) Skin Irrit. 2 (66.7%) Eye Irrit. 2A (66.7%) STOT SE 3 (66.7%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (66.7%): 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: AB3592

3-Chloro-4-nitrobenzoic acid, 98%

Product No: AB3592

About this item

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Certificate of Analysis

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Product No: AB3592

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?