3,5-Dimethoxybenzonitrile

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Names

[ CAS No. ]:
19179-31-8

[ Name ]:
3,5-Dimethoxybenzonitrile

[Synonym ]:
MFCD00001804
3,5-Dimethoxybenzonitrile
3,5-dimethoxy-benzonitrile
Benzonitrile, 3,5-dimethoxy-
3.5-Dimethoxy-benzoesaeure-nitril
3,5-dimethoxybenzenecarbonitrile
3,5-Dimethoxy-benzonitril
3,5-Dimethoxybenzolcarbonitril
BENZONITRILE,3,5-DIMETHOXY
EINECS 242-858-0

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
261.4±30.0 °C at 760 mmHg

[ Melting Point ]:
87-89 °C(lit.)

[ Molecular Formula ]:
C₉H₉NO₂

[ Molecular Weight ]:
163.173

[ Flash Point ]:
104.9±17.8 °C

[ Exact Mass ]:
163.063324

[ PSA ]:
42.25000

[ LogP ]:
1.12

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.520

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DI4355800

CHEMICAL NAME :: Benzonitrile, 3,5-dimethoxy-

CAS REGISTRY NUMBER :: 19179-31-8

BEILSTEIN REFERENCE NO. :: 0776115

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H9-N-O2

MOLECULAR WEIGHT :: 163.19

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 :: 1 gm/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-H315-H319-H332-H335

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

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

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S36-S36/37

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
DI4355800

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3,5-Dimethoxybenzaldehyde
zinc,dicyanide
N,N-Dimethylformamide
Trimethylsilyl cyanide
3,5-Dimethoxyphenylboronic acid
N-Cyano-N-phenyl-p-toluenesulfonamide
1-Bromo-3,5-dimethoxybenzene
2-(3,5-Dimethoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

DownStream

3,5-Dimethoxybenzylamine
5-(6-bromo-2-methylhexan-2-yl)benzene-1,3-diol
cyclohexyl-(3,5-dimethoxyphenyl)methanone
3,5-DIMETHOXY-BENZAMIDINE
1,3-Dimethoxybenzene
3,5-Dihydroxybenzonitrile
3,5-Dimethoxybenzamide
(3,4-dimethoxyphenyl)-(3,5-dimethoxyphenyl)methanone
N'-Hydroxy-3,5-dimethoxybenzenecarboximidamide
1,3-dimethoxy-5-(5-phenoxypentyl)benzene