Acetophenone, 2-nitrilo-3,4,5-trimethoxy

Modify Date: 2025-11-25 15:01:28

Acetophenone, 2-nitrilo-3,4,5-trimethoxy structure	Common Name	Acetophenone, 2-nitrilo-3,4,5-trimethoxy
	CAS Number	5955-75-9	Molecular Weight	221.20900
	Density	1.187g/cm3	Boiling Point	354.7ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₁NO₄	Melting Point	N/A
	MSDS	N/A	Flash Point	154.9ºC

Name	3,4,5-trimethoxybenzoyl cyanide
Synonym	More Synonyms

Density	1.187g/cm3
Boiling Point	354.7ºC at 760 mmHg
Molecular Formula	C₁₁H₁₁NO₄
Molecular Weight	221.20900
Flash Point	154.9ºC
Exact Mass	221.06900
PSA	68.55000
LogP	1.41868
Index of Refraction	1.515
InChIKey	NHZLVOHMHLFZLS-UHFFFAOYSA-N
SMILES	COc1cc(C(=O)C#N)cc(OC)c1OC

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM9550000

CHEMICAL NAME :: Acetophenone, 2-nitrilo-3',4',5'-trimethoxy-

CAS REGISTRY NUMBER :: 5955-75-9

BEILSTEIN REFERENCE NO. :: 2699129

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H11-N-O4

MOLECULAR WEIGHT :: 221.23

WISWESSER LINE NOTATION :: NCVR CO1 DO1 EO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 65 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex)

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,178,1964

HS Code	2926909090

Copper cyanide

CAS#:544-92-3

Trimethylgalloy...

CAS#:4521-61-3

Acetophenone, 2...

CAS#:5955-75-9

Literature: Asinger,F. et al. Justus Liebigs Annalen der Chemie, 1966 , vol. 691, p. 92 - 108

HYDROGEN CYANIDE

CAS#:74-90-8

Trimethylgalloy...

CAS#:4521-61-3

Acetophenone, 2...

CAS#:5955-75-9

Literature: Mauthner Chemische Berichte, 1908 , vol. 41, p. 923

Trimethylgallic acid

CAS#:118-41-2

Acetophenone, 2...

CAS#:5955-75-9

Literature: Marsh; Stephen Journal of the Chemical Society, 1925 , vol. 127, p. 1635

Trimethylgalloy...

CAS#:4521-61-3

Acetophenone, 2...

CAS#:5955-75-9

Literature: Schiemenz; Engelhard Chemische Berichte, 1959 , vol. 92, p. 1336,1342 Full Text Show Details Dornow; Petsch Archiv der Pharmazie (Weinheim, Germany), 1952 , vol. 285, p. 323,326

Precursor 4
CAS#:544-92-3 Copper cyanide CAS#:4521-61-3 Trimethylgalloy... CAS#:74-90-8 HYDROGEN CYANIDE CAS#:118-41-2 Trimethylgallic acid
DownStream 6
CAS#:86-81-7 3,4,5-Trimethox... CAS#:13338-63-1 3,4,5-trimethox... CAS#:14655-36-8 ETHYL 3,4,5-TRI... CAS#:118-41-2 Trimethylgallic acid
CAS#:88755-16-2 OXO(3,4,5-TRIME... CAS#:861569-57-5 (3,4,5-trimetho...

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%

2-Nitrilo-3',4',5'-trimethoxyacetophenone

3.4.5-Trimethoxy-phenylglyoxylsaeure-nitril

3,4,5-Trimethoxy-benzoylcyanid

3,4,5-Trimethoxyphenylglyoxylonitril

ACETOPHENONE,2-NITRILO-3',4',5'-TRIMETHOXY

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Acetophenone, 2-nitrilo-3,4,5-trimethoxy

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Safety Information

Synthetic Route

Precursor & DownStream

Customs

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.