2-Bromo-6-fluorobenzoic acid - CAS 2252-37-1

Name: 2-Bromo-6-fluorobenzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017646
Product Name:	2-Bromo-6-fluorobenzoic acid
CAS:	2252-37-1
Synonyms:	2-bromo-6-fluorobenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-6-fluorobenzoic acid
Description:	2-Bromo-6-fluorobenzoic acid (CAS# 2252-37-1) is a useful research chemical.
Molecular Weight:	219.01
Molecular Formula:	C7H4BrFO2
Canonical SMILES:	C1=CC(=C(C(=C1)Br)C(=O)O)F
InChI:	InChI=1S/C7H4BrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChI Key:	MDAZJVAIZVUWDE-UHFFFAOYSA-N
Boiling Point:	286.1 °C at 760 mmHg
Purity:	97.0 %
Density:	1.789 g/cm³
Appearance:	Solid
MDL:	MFCD01569539
LogP:	2.28640

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Fluorinated Building Blocks

[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[51516-70-2]C10H7FN4
5-Amino-1-(4-fluorophenyl)-1H-pyrazole-4-carbonitrile
[1263280-02-9]C11H9FO2S
Ethyl 4-fluorobenzo[b]thiophene-2-carboxylate

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[81290-20-2]C4H9F3Si
Trimethyl(trifluoromethyl)silane
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021191680-A1	Aptamers that bind thiamine analogs and derivatives	20200324
CN-113087700-A	Spirocyclic tetrahydroquinazolines	20200108
US-2021230174-A1	Spirocyclic tetrahydroquinazolines	20200108
WO-2021139748-A1	Spirocyclic tetrahydroquinazolines	20200108
KR-102293986-B1	Isoquinolinone derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating poly(ADP-ribose)polymerase-1 related diseases containg the same as an active ingredient	20191030

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.93787
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.93787
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3