3-Benzylidenphthalide

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Names

[ CAS No. ]:
575-61-1

[ Name ]:
3-Benzylidenphthalide

[Synonym ]:
EINECS 209-388-8
MFCD00005929
1(3H)-Isobenzofuranone, 3-(phenylmethylene)-, (3E)-
(3E)-3-Benzylidene-2-benzofuran-1(3H)-one
3-Benzylidenphthalide
benzalphthalide

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
374.1±42.0 °C at 760 mmHg

[ Melting Point ]:
99-102 °C(lit.)

[ Molecular Formula ]:
C15H10O2

[ Molecular Weight ]:
222.24

[ Flash Point ]:
156.9±25.3 °C

[ Exact Mass ]:
222.068085

[ PSA ]:
26.30000

[ LogP ]:
4.27

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.687

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TI3686000
CHEMICAL NAME :
Phthalide, 3-benzylidene-
CAS REGISTRY NUMBER :
575-61-1
BEILSTEIN REFERENCE NO. :
0083797
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H10-O2
MOLECULAR WEIGHT :
222.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 5,143,1953

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
TI3686000

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-(2'-phenylethynyl)benzoic acid
  • 2-Iodobenzoic acid
  • 3-Phenylpropiolic acid
  • carbon monoxide
  • 1-(2-BROMOETHYL)PYRROLE
  • Phenylacetic acid
  • Phthalic anhydride
  • Benzoic acid, o- (phenylacetyl)-
  • 2-Phenylethynyl-benzaldehyde
  • 2-Bromobenzonitrile

DownStream

  • 2-(2-Phenylethyl)benzoic acid
  • 3-benzylphthalide
  • 1H-Indene-1,3(2H)-dione,2-bromo-2-phenyl-
  • 1H-Inden-1-one,3-ethyl-2-phenyl-
  • 3-naphthalen-1-yl-2-phenylinden-1-one
  • Phenindione
  • Dibenzosuberone
  • Benzoic acid, o- (phenylacetyl)-
  • 3-(2-Phenylethyl)benzoic acid
  • Benzaldehyde

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

  • 3-benzyl-4-methyl-1,3-thiazol-3-ium,iodide
  • 3-CHLORO-4-(ISOPROPYLSULFONYL)THIOPHENE-2-CARBOXYLIC ACID
  • 3-(1-Benzyl-1H-indol-3-yl)-propionic acid
  • 3,3-diphenyl-4-(2-phenylethenyl)-1-tert-butyl-azetidin-2-one
  • [3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
  • 3-hydroxy-2,2,4-trimethyl-1-(2-methylphenyl)pentan-1-one
  • 4-Chloro-2-hydroxybenzothiazole-7-carboxylic acid methyl ester
  • 1H-Pyrrolo[2,3-b]pyridin-5-ol, 4-chloro-2-methyl-
  • 4-Fluorobenzo[d]isoxazole-3-carboxylic acid
  • 4-Fluorobenzisoxazole-3-carboxylic acid ethyl ester
  • 4-Fluoroimidazo[1,2-a]pyridin-2-acetic acid methyl ester
  • 4-Hydroxy-7-azaindole-2-carboxylic acid ethyl acid
  • 5,7-Diiodo-4-methylimidazo[1,2-a]pyridin-2-acetic acid methyl ester
  • 5-Amino-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
  • 5-Amino-2-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester
  • 5-Amino-3-methylimidazo[1,2-a]-pyridine-2-carboxylic acid ethtyl ester
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