2-Fluorobenzoic acid

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Names

[ CAS No. ]:
445-29-4

[ Name ]:
2-Fluorobenzoic acid

[Synonym ]:
Benzoic acid, 2-fluoro-
MFCD00002405
EINECS 207-158-1
o-Fluorobenzoic acid
2-Fluorobenzoic acid
QVR BF

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
244.7±13.0 °C at 760 mmHg

[ Melting Point ]:
122-125 °C(lit.)

[ Molecular Formula ]:
C7H5FO2

[ Molecular Weight ]:
140.11

[ Flash Point ]:
101.8±19.8 °C

[ Exact Mass ]:
140.027359

[ PSA ]:
37.30000

[ LogP ]:
1.86

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.537

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH0250000
CHEMICAL NAME :
Benzoic acid, o-fluoro-
CAS REGISTRY NUMBER :
445-29-4
BEILSTEIN REFERENCE NO. :
0971265
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C7-H5-F-O2
MOLECULAR WEIGHT :
140.12
WISWESSER LINE NOTATION :
QVR BF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 183,427,1936
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01726 *** REVIEWS *** TOXICOLOGY REVIEW IMSUAI Industrial Medicine and Surgery. (Northbrook, IL) V.18-42, 1949-73. For publisher information, see IOHSA5. Volume(issue)/page/year: 19,535,1950

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H335

[ Precautionary Statements ]:
P261

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S22-S26-S28-S24/25-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
DH0250000

[ HS Code ]:
2916399090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Fluorobenzaldehyde
  • 1-Bromo-2-fluorobenzene
  • carbon monoxide
  • 1-Chloro-2-fluorobenzene
  • Butanol
  • 1-Fluoro-2-iodobenzene
  • Lithium formate
  • Methanol
  • Carbon dioxide

DownStream

  • (2,5-dioxopyrrolidin-1-yl) 2-fluorobenzoate
  • 2-Fluoro-5-nitrobenzoic acid
  • 2-Fluoro-3-nitrobenzoic acid
  • 5-(Chlorosulfonyl)-2-fluorobenzoic acid
  • 2-Fluorobenzoyl chloride
  • 4-Nitrophenol
  • Sodium 2-fluorobenzoate
  • 2-Fluorobenzophenone
  • Ethyl 2-fluorobenzoate
  • ethyl 2-fluoro-5-nitrobenzoate

Customs

[ HS Code ]: 2916399090

[ Summary ]:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles

Degradation of 2-bromo-, 2-chloro- and 2-fluorobenzoate by Pseudomonas putida CLB 250.

FEMS Microbiol. Lett. 51(1) , 143-7, (1989)

Pseudomonas putida strain CLB 250 (DSM 5232) utilized 2-bromo-, 2-chloro- and 2-fluorobenzoate as sole source of carbon and energy. Degradation is suggested to be initiated by a dioxygenase liberating...

The preparation of zaragozic acid A analogues by directed biosynthesis.

J. Antibiot. 47(11) , 1290-4, (1994)

Zaragozic acid A analogues are produced by an unidentified sterile fungus when it is exogenously supplied with 2-thiophenecarboxylic acid, 3-thiophenecarboxylic acid, 2-furoic acid, 2-fluorobenzoic ac...

Titration of nonstabilized diazoalkane solutions by fluorine NMR.

J. Org. Chem. 77(2) , 1181-5, (2012)

A new protocol for titrating nonstabilized diazoalkane solutions by quantitative (19)F NMR is reported. An excess of 2-fluorobenzoic acid dissolved in CDCl(3) is treated with the diazoalkane solution ...


More Articles

Related Compounds

  • 2-Fluorobenzoic Acid-d4
  • 3-Amino-2-fluorobenzoic acid
  • 4-Amino-2-fluorobenzoic acid
  • 4-Bromo-2-fluorobenzoic acid
  • 3-Bromo-2-fluorobenzoic acid
  • 5-Bromo-2-fluorobenzoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • N-[3-(Aminooxy)propyl]-N-butyl-1-butanamine