3,4,5-trimethoxyphenylacetonitrile

Modify Date: 2024-01-08 16:14:53

3,4,5-trimethoxyphenylacetonitrile Structure
3,4,5-trimethoxyphenylacetonitrile structure
 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 Chinese USA Flash Point 132.8±19.4 °C
Symbol GHS07
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

 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
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

 Synthetic Route

 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

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 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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