2,3-Dimethoxybenzonitrile

Modify Date: 2024-01-10 07:37:19

2,3-Dimethoxybenzonitrile Structure
2,3-Dimethoxybenzonitrile structure
Common Name 2,3-Dimethoxybenzonitrile
CAS Number 5653-62-3 Molecular Weight 163.173
Density 1.1±0.1 g/cm3 Boiling Point 264.5±25.0 °C at 760 mmHg
Molecular Formula C9H9NO2 Melting Point 43-46 °C(lit.)
MSDS Chinese USA Flash Point 106.6±16.4 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 2,3-Dimethoxybenzonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 264.5±25.0 °C at 760 mmHg
Melting Point 43-46 °C(lit.)
Molecular Formula C9H9NO2
Molecular Weight 163.173
Flash Point 106.6±16.4 °C
Exact Mass 163.063324
PSA 42.25000
LogP 1.57
Vapour Pressure 0.0±0.5 mmHg at 25°C
Index of Refraction 1.520
Stability Stable. Incompatible with strong bases, strong acids, strong oxidizing agents.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DI4355000
CHEMICAL NAME :
Benzonitrile, 2,3-dimethoxy-
CAS REGISTRY NUMBER :
5653-62-3
BEILSTEIN REFERENCE NO. :
2719631
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-N-O2
MOLECULAR WEIGHT :
163.19
WISWESSER LINE NOTATION :
NCR BO1 CO1

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#04768

 Safety Information

Symbol GHS07
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 R20/21/22
Safety Phrases S26-S36
RIDADR 3276
WGK Germany 3
RTECS DI4355000
Packaging Group III
Hazard Class 6.1
HS Code 2926909090

 Synthetic Route

~77%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: Ushijima, Sousuke; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2011 , vol. 67, # 5 p. 958 - 964

~95%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: Coskun, Necdet Synthetic Communications, 2004 , vol. 34, # 9 p. 1625 - 1630

~%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: Bulletin de la Societe Chimique de France, , p. 409,413

~94%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: Coskun, Necdet; Arikan, Nevin Tetrahedron, 1999 , vol. 55, # 40 p. 11943 - 11948

~%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: Phytochemistry (Elsevier), , vol. 27, # 5 p. 1483 - 1486

~%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: Phytochemistry (Elsevier), , vol. 27, # 5 p. 1483 - 1486

~%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: WO2014/13512 A1, ;

~%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: WO2014/13512 A1, ;

~%

2,3-Dimethoxybenzonitrile Structure

2,3-Dimethoxybe...

CAS#:5653-62-3

Literature: Journal of the Chemical Society, , p. 2907

 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%

 Synonyms

2,3-Dimethoxybenzonitrile
MFCD00001784
EINECS 227-097-4
Benzonitrile, 2,3-dimethoxy-
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