1(3H)-Isobenzofuranone,3-phenyl-

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Names

[ CAS No. ]:
5398-11-8

[ Name ]:
1(3H)-Isobenzofuranone,3-phenyl-

[Synonym ]:
3-PHENYLPHTHALIDE
3-Phenyl-1(3H)-isobenzofuranone
3-PHENYL-3H-ISOBENZOFURAN-1-ONE
EINECS 226-426-9
MFCD00023099
3-phenyl-3H-2-benzofuran-1-one

Chemical & Physical Properties

[ Density]:
1.234g/cm3

[ Boiling Point ]:
368.9ºC at 760mmHg

[ Melting Point ]:
120-122°C

[ Molecular Formula ]:
C14H10O2

[ Molecular Weight ]:
210.22800

[ Flash Point ]:
154.5ºC

[ Exact Mass ]:
210.06800

[ PSA ]:
26.30000

[ LogP ]:
2.94640

[ Index of Refraction ]:
1.622

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TI3800000
CHEMICAL NAME :
Phthalide, 3-phenyl-
CAS REGISTRY NUMBER :
5398-11-8
BEILSTEIN REFERENCE NO. :
0159678
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H10-O2
MOLECULAR WEIGHT :
210.24
WISWESSER LINE NOTATION :
T56 BVO DHJ DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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#05535

Safety Information

[ Safety Phrases ]:
S22-S24/25

[ RTECS ]:
TI3800000

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Benzaldehyde
  • 2-Bromobenzoic acid
  • 2-Cyanobenzaldehyde
  • Phenylboronic acid
  • ISOPROPYL 2-BROMOBENZOATE
  • 2-BENZYLBENZOIC ACID
  • Methyl 2-bromobenzoate
  • Methyl 2-formylbenzoate
  • 2-Benzoylbenzoic acid
  • 2-(methoxycarbonyl)phenylzinc iodide

DownStream

  • 1H-Inden-1-one,2,3-diphenyl-
  • Benzamide, N-Methyl-2-(phenylmethyl)-
  • 2-Benzoylbenzoic acid
  • α-Cumyl alcohol
  • Acetophenone
  • 2-[2-(dimethylamino)ethoxy-phenylmethyl]benzoic acid
  • diphenylisobenzofuran
  • 2-BENZYLBENZOIC ACID
  • 2-[hydroxy(phenyl)methyl]-N-methylbenzamide

Customs

[ HS Code ]: 2932209090

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

Related Compounds

  • 1(3H)-Isobenzofuranone,3-phenyl-3-(phenylmethyl)
  • 1(3H)-Isobenzofuranone,3-phenyl-3-[(1-phenyl-1H-tetrazol-5-yl)thio]
  • 1(3H)-Isobenzofuranone,3-[4-(dimethylamino)phenyl]-3-(1,2-dimethyl-1H-indol-3-yl)-
  • 1(3H)-Isobenzofuranone,3-phenoxy-3-phenyl-
  • 1(3H)-Isobenzofuranone,3-(4-methylphenyl)-3-phenyl-
  • 1(3H)-Isobenzofuranone,3-(4-hydroxyphenyl)-3-phenyl-