4-Bromo-2-chlorobenzoic acid - CAS 59748-90-2

Name: 4-Bromo-2-chlorobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030483
Product Name:	4-Bromo-2-chlorobenzoic acid
CAS:	59748-90-2
Synonyms:	Benzoic acid, 4-bromo-2-chloro-; 2-Chloro-4-bromobenzoic Acid; 4-Bromo-2-chloro-benzoic Acid; Mefenamic Acid EP Impurity C

Technical Data

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Literatures

Computed Properties

IUPAC Name:	4-bromo-2-chlorobenzoic acid
Molecular Weight:	235.46
Molecular Formula:	C7H4BrClO2
Canonical SMILES:	C1=CC(=C(C=C1Br)Cl)C(=O)O
InChI:	InChI=1S/C7H4BrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI Key:	JAVZWSOFJKYSDY-UHFFFAOYSA-N
Boiling Point:	319.1±27.0°C at 760 mmHg
Melting Point:	166-167°C
Purity:	≥95%
Density:	1.809±0.06 g/cm3
Solubility:	Soluble in DMSO, Methanol
Appearance:	Off-white Solid
Storage:	Store at 2-8°C
MDL:	MFCD00040903
LogP:	2.80070

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H301 (86.67%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P391, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111925289-A	Preparation method of 5-bromo-2-chlorobenzoic acid	20200630
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
WO-2021108023-A1	Penicillin-binding protein inhibitors	20191126
WO-2021068950-A1	Amide compound and medical use thereof as sting inhibitor	20191012
WO-2021016317-A1	Modulators of trex1	20190723

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.90832
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	233.90832
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9