CAS 13338-63-1|3,4,5-trimethoxyphenylacetonitrile

Introduction：Basic information about CAS 13338-63-1|3,4,5-trimethoxyphenylacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

Common Name	3,4,5-trimethoxyphenylacetonitrile
CAS Number	13338-63-1	Molecular Weight	207.226
Density	1.1±0.1 g/cm3	Boiling Point	328.0±37.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₃NO₃	Melting Point	77-79 °C(lit.)
MSDS	ChineseUSA	Flash Point	132.8±19.4 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	3,4,5-Trimethoxyphenylacetonitrile
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.1±0.1 g/cm3
Boiling Point	328.0±37.0 °C at 760 mmHg
Melting Point	77-79 °C(lit.)
Molecular Formula	C₁₁H₁₃NO₃
Molecular Weight	207.226
Flash Point	132.8±19.4 °C
Exact Mass	207.089539
PSA	51.48000
LogP	0.89
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.506
InChIKey	ACFJNTXCEQCDBX-UHFFFAOYSA-N
SMILES	COc1cc(CC#N)cc(OC)c1OC

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AM2475000

CHEMICAL NAME :: Acetonitrile, (3,4,5-trimethoxyphenyl)-

CAS REGISTRY NUMBER :: 13338-63-1

BEILSTEIN REFERENCE NO. :: 2214548

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H13-N-O3

MOLECULAR WEIGHT :: 207.25

WISWESSER LINE NOTATION :: NC1R CO1 DO1 EO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 56 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04092

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H302 + H312 + H332
Precautionary Statements	P280
Personal Protective Equipment	dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes	Xn:Harmful;
Risk Phrases	R20/21/22
Safety Phrases	S26-S36-S24/25
RIDADR	3276
WGK Germany	3
RTECS	AM2475000
Packaging Group	III
Hazard Class	6.1
HS Code	2926909090

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%

Articles2

Simplified liquid-chromatographic determination of vancomycin.

Clin. Chem. 32(6) , 1016-9, (1986)

We simplified determination of vancomycin in serum by using a direct and rapid solvent precipitation of protein and by using a simple organic compound as internal standard. Reproductibility of the van...

XXII.—Synthetical experiments in the isoflavone group.Part IV. A synthesis of 2-methylirigenol. Baker W and Robinson R.

J. Chem. Soc. , 152-161, (1929)

Synonyms

3,4,5-Trimethoxybenzyl Cyanide

MFCD00001912

Benzeneacetonitrile, 3,4,5-trimethoxy-

(3,4,5-Trimethoxyphenyl)acetonitrile

EINECS 236-388-5

2-(3,4,5-trimethoxyphenyl)acetonitrile

3,4,5-trimethoxyphenylacetonitrile

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