4-Chloro-2-fluorobenzoic acid - CAS 446-30-0

Catalog:	BB025672
Product Name:	4-Chloro-2-fluorobenzoic acid
CAS:	446-30-0
Synonyms:	4-chloro-2-fluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-fluorobenzoic acid
Description:	4-Chloro-2-fluorobenzoic acid (CAS# 446-30-0) is a useful research chemical.
Molecular Weight:	174.56
Molecular Formula:	C7H4ClFO2
Canonical SMILES:	C1=CC(=C(C=C1Cl)F)C(=O)O
InChI:	InChI=1S/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI Key:	ZLPXBWMVZANJJQ-UHFFFAOYSA-N
Boiling Point:	274.7 °C at 760 mmHg
Melting Point:	204-208 °C
Purity:	98 %
Density:	1.477 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00042468
LogP:	2.17730

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GHS Hazard Statement:	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]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.9883852
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.9883852
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3