3,4,5-Trimethoxybenzonitrile

Names

[ Name ]:
3,4,5-Trimethoxybenzonitrile

[Synonym ]:
NCR CO1 DO1 EO1
MFCD00001803
Benzonitrile, 3,4,5-tri-methoxy-
5-Cyan-pyrogallol-trimethylaether
Benzonitrile, 3,4,5-trimethoxy-
3,4,5-Trimethoxybenzonitrile
3.4.5-Trimethoxy-benzoesaeure-nitril
3,4,5-Trimethoxybenzenecarbonitrile
3,4,5-trimethoxy-benzonitrile
3,4,5-Trimethoxy-benzonitril
Trimethylaethergallussaeure-nitril
EINECS 217-550-4
BENZONITRILE,3,4,5-TRIMETHOXY
3,4,5-Trimethoxybenzolcarbonitril

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
329.7±0.0 °C at 760 mmHg

[ Melting Point ]:
91-94 °C(lit.)

[ Molecular Formula ]:
C₁₀H₁₁NO₃

[ Molecular Weight ]:
193.199

[ Flash Point ]:
116.0±20.2 °C

[ Exact Mass ]:
193.073898

[ PSA ]:
51.48000

[ LogP ]:
1.15

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.515

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI4965000

CHEMICAL NAME :: Benzonitrile, 3,4,5-trimethoxy-

CAS REGISTRY NUMBER :: 1885-35-4

BEILSTEIN REFERENCE NO. :: 0979686

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H11-N-O3

MOLECULAR WEIGHT :: 193.22

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 :: 1500 mg/kg

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

REFERENCE :: FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 41,41,1986

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302 + H312 + H332-H315-H319-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R21/22;R36/37/38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
DI4965000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

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%

Articles

Characterization of nitrile hydratation catalysed by Nocardia sp. 108. Wang Y-J, et al.

World J. Microbiol. Biotechnol. 23(3) , 355-362, (2007)

Room-temperature discotic liquid-crystalline coronene diimides exhibiting high charge-carrier mobility in air. An Z,et al.

J. Mater. Chem. 19(37) , 6688-6698, (2009)