4-acetyl-2-benzylidene-5-hydroxythiophen-3-one

Names

[ CAS No. ]:
10434-38-5

[ Name ]:
4-acetyl-2-benzylidene-5-hydroxythiophen-3-one

[Synonym ]:
3-Acetyl-5-benzyliden-2,5-dihydro-4-hydroxy-2-oxothiophen

Chemical & Physical Properties

[ Density]:
1.448g/cm3

[ Boiling Point ]:
462.1ºC at 760 mmHg

[ Molecular Formula ]:
C₁₃H₁₀O₃S

[ Molecular Weight ]:
246.28200

[ Flash Point ]:
233.3ºC

[ Exact Mass ]:
246.03500

[ PSA ]:
79.67000

[ LogP ]:
2.70200

[ Vapour Pressure ]:
2.45E-09mmHg at 25°C

[ Index of Refraction ]:
1.728

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XN1900000

CHEMICAL NAME :: 2(5H)-Thiophenone, 3-acetyl-5-benzylidene-4-hydroxy-

CAS REGISTRY NUMBER :: 10434-38-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H10-O3-S

MOLECULAR WEIGHT :: 246.29

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JSOOAX Journal of the Chemical Society, Section C: Organic. (London, UK) No.1-24, 1966-71. For publisher information, see JCPRB4. Volume(issue)/page/year: (12),1501,1968

Safety Information

[ HS Code ]:
2934999090

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

(2Z)-4-acetyl-2-benzylidene-5-hydroxy-1H-pyrrol-3-one
(2Z)-4-acetyl-2-[(2-chlorophenyl)methylidene]-5-hydroxythiophen-3-one
(2Z)-4-acetyl-2-[(4-chlorophenyl)methylidene]-5-hydroxythiophen-3-one
(2Z)-4-acetyl-2-[(4-bromophenyl)methylidene]-5-hydroxythiophen-3-one
(2Z)-4-acetyl-2-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxythiophen-3-one
(2Z)-4-acetyl-2-[(3,4-dichlorophenyl)methylidene]-5-hydroxythiophen-3-one