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3696-12-6

3696-12-6 structure

3696-12-6 structure

Name: VANILLYLIDENEMALONONITRILE
Chemical Name: 2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
CAS Number: 3696-12-6
Molecular Formula: C₁₁H₈N₂O₂
Molecular Weight: 200.19300
Create Date: 2017-10-05 21:48:06
Modify Date: 2025-08-25 12:31:46

Name	2-[(4-hydroxy-3-methoxyphenyl)methylidene]propanedinitrile
Synonyms	F 2373 2-(4-hydroxy-3-methoxybenzylidene)malononitrile 1,1-dicyano-2-(4-hydroxy-3-methoxyphenyl)vinyl (4-hydroxy-3-methoxybenzylidene)propanedinitrile TX 1121 Vanillylidenemalononitrile 2-(4-hydroxy-3-methoxyphenyl)-1,1-dicyanoethylene 4-hydroxy-3-methoxybenzylidenemalononitrile Propanedinitrile,((4-hydroxy-3-methoxyphenyl)methylene) 3-Methoxy-4-hydroxy-benzal-malonitril [German] 2-[(3-methoxy-4-hydroxyphenyl)methylene]malononitrile

Density	1.283g/cm3
Boiling Point	381ºC at 760 mmHg
Molecular Formula	C₁₁H₈N₂O₂
Molecular Weight	200.19300
Flash Point	184.2ºC
Exact Mass	200.05900
PSA	77.04000
LogP	1.83136
Index of Refraction	1.623

CHEMICAL IDENTIFICATION

RTECS NUMBER :: OO4235500

CHEMICAL NAME :: Malononitrile, (4-hydroxy-3-methoxybenzylidene)-

CAS REGISTRY NUMBER :: 3696-12-6

BEILSTEIN REFERENCE NO. :: 2695114

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H8-N2-O2

MOLECULAR WEIGHT :: 200.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 60 mg/kg

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

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 14,1325,1965

HS Code	2926909090

121-33-5 structure

121-33-5

109-77-3 structure

109-77-3

~99%

3696-12-6 structure

3696-12-6

Literature: Krishnan, G. Rajesh; Sreekumar, Krishnapillai European Journal of Organic Chemistry, 2008 , # 28 p. 4763 - 4768

148-53-8 structure

148-53-8

109-77-3 structure

109-77-3

~83%

3696-12-6 structure

3696-12-6

Literature: Sharma, Nandini; Sharma, Upendra K.; Kumar, Rajesh; Katoch, Nidhi; Kumar, Rakesh; Sinha, Arun K. Advanced Synthesis and Catalysis, 2011 , vol. 353, # 6 p. 871 - 878

Precursor 3
121-33-5 109-77-3 148-53-8
DownStream 0

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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