Malonoben

Suppliers

Names

[ CAS No. ]:
10537-47-0

[ Name ]:
Malonoben

[Synonym ]:
(3,5-Di-tert-butyl-4-hydroxybenzyliden)malononitril
2-(3,5-di-tert-butyl-4-hydroxybenzylidene)malononitrile
Malonoben
MFCD00209853
2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
(3,5-Di-tert-butyl-4-hydroxybenzylidene)malononitrile
Tyrphostin AG17
Tyrphostin 9
2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]propanedinitrile
[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]malononitrile
GCP 5126
Propanedinitrile, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-
(3,5-di-tert-butyl-4-hydroxybenzylidene)propanedinitrile
Caswell No. 291AA
[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile
3,5-di-tert-butyl-4-hydroxybenzylidene-malononitrile
tyrphostin A9

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
386.8±37.0 °C at 760 mmHg

[ Melting Point ]:
141-143℃ (ethanol )

[ Molecular Formula ]:
C18H22N2O

[ Molecular Weight ]:
282.380

[ Flash Point ]:
187.7±26.5 °C

[ Exact Mass ]:
282.173218

[ PSA ]:
67.81000

[ LogP ]:
4.81

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.555

[ Storage condition ]:
Store at RT

[ Water Solubility ]:
ethanol: 20 mg/mL

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
OO3737000
CHEMICAL NAME :
Malononitrile, 3,5-di-tert-butyl-4-hydroxybenzylidene-
CAS REGISTRY NUMBER :
10537-47-0
BEILSTEIN REFERENCE NO. :
2700764
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H22-N2-O
MOLECULAR WEIGHT :
282.42
WISWESSER LINE NOTATION :
NCYCN&U1R DQ CX1&1&1 EX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
87 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SPEADM Special Publication of the Entomological Society of America. (4603 Calvert Rd., College Park, MD 20740) Volume(issue)/page/year: 78-1,21,1978
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
226 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SPEADM Special Publication of the Entomological Society of America. (4603 Calvert Rd., College Park, MD 20740) Volume(issue)/page/year: 74-1,-,1974

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H311-H331

[ Precautionary Statements ]:
P261-P280-P301 + P310-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T: Toxic;

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S36/37/39-S45

[ RIDADR ]:
UN 2811 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
OO3737000

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Precursor & DownStream

Precursor

  • Malononitrile
  • 3,5-di-tert-butyl-4-hydroxybenzaldehyde

DownStream

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Related Compounds

  • 1-bromo-N-(1-((4-methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
  • N-(1-((4-methoxyphenyl)sulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)-1-(m-tolyl)methanesulfonamide
  • N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
  • 2-methyl-5-nitro-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
  • 4-ethoxy-3-fluoro-N-(1-(propylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
  • N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
  • N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)naphthalene-2-sulfonamide
  • N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)-3-methylbenzenesulfonamide
  • 4-ethoxy-N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-6-yl)-3-fluorobenzenesulfonamide
  • N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-methylbenzamide
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