Phthalide

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Names

[ CAS No. ]:
87-41-2

[ Name ]:
Phthalide

[Synonym ]:
1-Isobenzofuranone
Rabcide
EINECS 201-744-0
1(3H)-4,5,6,7-tetrachloroisobenzofuranone
Fthalide
3-oxo-1,3-dihydro-isobenzofuran
MFCD00005906
5-17-10-00007 (Beilstein Handbook Reference)
1(3H)-Isobenzofuranone
isobenzofuran-1-one
1-Phthalanone
KF-32
2-Hydroxymethylbenzoic acid, γ-lactone
PHH
4,5,6,7-tetrachloro-1(3H)-isobenzofuranone
4,5,6,7-Tetrachlorophthalidefthalide
4,5,6,7-Tetrachlor-phthalid
Phthalide
2-Benzofuran-1(3H)-one
1H-Isobenzofuran-3-one
T56 BVO DHJ
4,5,6,7-TETRACHLOROPHTHALIDE
4,5,6,7-tetrachloroisobenzofuran-1(3H)-one
Isobenzofuranone
Phthalolactone

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
290.0±0.0 °C at 760 mmHg

[ Melting Point ]:
71-74 °C(lit.)

[ Molecular Formula ]:
C8H6O2

[ Molecular Weight ]:
134.132

[ Flash Point ]:
124.8±22.2 °C

[ Exact Mass ]:
134.036774

[ PSA ]:
26.30000

[ LogP ]:
0.99

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.585

[ Water Solubility ]:
sparingly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TI3520000
CHEMICAL NAME :
Phthalide
CAS REGISTRY NUMBER :
87-41-2
BEILSTEIN REFERENCE NO. :
0114632
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H6-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,25,1953

Safety Information

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

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
S26-S36-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TI3520000

[ HS Code ]:
29322980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 3-Chloro-2-benzofuran-1(3H)-one
  • o-xylene
  • carbon monoxide
  • (2-Iodophenyl)methanol
  • Tributyl(4-methoxyphenyl)stannane
  • [2-(hydroxymethyl)phenyl] trifluoromethanesulfonate
  • 1,2-Phenylenedimethanol
  • 2-Bromobenzyl alcohol
  • 3-(4-methoxyphenyl)-3-phenylpropanal
  • 2-Methylbenzoic acid

DownStream

  • 2-(2-methy1phenoxymethy1)benzioc acid
  • Isoxepac
  • 1H-Isoindol-1-one,2,3-dihydro-2-phenyl-
  • 6-Amino-1,3-dihydroisobenzofuran-1-one
  • Phthalane
  • Methyl 2-(chloromethyl)benzoate
  • 2-(Chloromethyl)benzoyl chloride
  • Phthalic anhydride
  • Acetic 2-(phenoxymethyl)benzoic anhydride
  • 2-(bromomethyl)benzoyl bromide

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

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J. Agric. Food Chem. 63 , 6325-30, (2015)

An immunosensor based on surface plasmon resonance (SPR-sensor) was developed to analyze chlorothalonil residues and maximum residue limits (MRLs; 0.5-50 mg/kg) in vegetables in Japan. Conjugates of N...

Palladium-catalyzed cascade aryl addition/intramolecular lactonization of phthalaldehyde to access 3-aryl- and alkenylphthalides.

J. Org. Chem. 75(17) , 6043-5, (2010)

A palladium-catalyzed addition of arylboronic acids to phthalaldehyde, followed by an intramolecular lactonization to access 3-substituted phthalides, is described. The procedure tolerates a series of...

Design and synthesis of marine fungal phthalide derivatives as PPAR-γ agonists.

Bioorg. Med. Chem. 20(16) , 4954-61, (2012)

On the basis of a marine fungal phthalide (paecilocin A) skeleton, we synthesized 20 analogs and evaluated them for peroxisome proliferator-activated receptor gamma (PPAR-γ) binding and activation. Am...


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Related Compounds

  • phthalide
  • diphthalide
  • Butylphthalide
  • butylphthalide
  • benzalphthalide
  • 4-iodophthalide
  • 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
  • 2-Bromo-4-cyano-5-methylbenzoic acid
  • 2-Cyano-4-(difluoromethoxy)-3-(difluoromethyl)benzoic acid
  • 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