3,4,5-Trimethoxybenzonitrile

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Names

[ CAS No. ]:
1885-35-4

[ 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

  • 3,4,5-TRIMETHOXYBENZALDOXIME
  • N,3,4,5-Tetramethoxy-N-methylbenzamide
  • 3,4,5-Trimethoxybenzaldehyde
  • 3,4,5-trimethoxy-N,N-dimethyl-benzamide
  • Benzyl cyanide
  • 3,4,5-Trimethoxyphenylboronic acid
  • Ethyl 3,4,5-trimethoxybenzoate
  • (E)-1,1-dimethyl-2-(3,4,5-trimethoxybenzylidene)hydrazine
  • 3,4,5-TRIMETHOXYBENZAMIDE

DownStream

  • 3,4,5-Trimethoxybenzaldehyde
  • 1,2,3-Trimethoxy-5-methylbenzene
  • dimethoxyanisole
  • 3',4',5'-Trimethoxyacetophenone
  • 1-(3,4,5-Trimethoxyphenyl)methanamine
  • 4-hydroxy-3,5-dimethoxybenzonitrile
  • 2-(3,4,5-Trimethoxyphenyl)-4,5-dihydro-1,3-thiazole
  • 2-(3,4,5-Trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
  • 2-CHLOROMETHYL-5-(3,4,5-TRIMETHOXY-PHENYL)-[1,3,4]OXADIAZOLE
  • 3,4,5-trimethoxy-N-methylbenzamide

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)


More Articles

Related Compounds

  • 3,4,5-tridodecoxybenzoyl chloride
  • 3,4,5-tridodecoxybenzoic acid
  • 3,4,5,2',4'-Pentahydroxychalcone
  • 3-[[4-[5-bromo-3-(2H-tetrazol-5-yl)-2-furyl]phenyl]methyl]-2-propyl-1, 5,7,9-tetrazabicyclo[4.3.0]nona-2,5,7-trien-4-one
  • 3,4,5-tridodecoxybenzoyl azide
  • 3,4,5-tridodecoxybenzoic acid