2-Chloro-4-fluorobenzoic acid - CAS 2252-51-9

Name: 2-Chloro-4-fluorobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	2-chloro-4-fluorobenzoic acid
Description:	2-Chloro-4-fluorobenzoic Acid s a useful synthetic intermediate. It can be used to prepare aryl aminopyrazole benzamides as oral non-steroidal selective glucocorticoid receptor agonists. It can also be used to synthesize (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene)acetamide derivatives as arginine vasopressin V2 receptor agonists.
Molecular Weight:	174.56
Molecular Formula:	C7H4ClFO2
Canonical SMILES:	C1=CC(=C(C=C1F)Cl)C(=O)O
InChI:	InChI=1S/C7H4ClFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:	GRPWQLDSGNZEQE-UHFFFAOYSA-N
Boiling Point:	271.9 °C at 760 mmHg
Purity:	98 %
Density:	1.477 g/cm³
Appearance:	White powder or flakes
MDL:	MFCD00010615
LogP:	2.17730

GHS Hazard Statement:	H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3