3,4-Dimethoxyphenylacetonitrile

Modify Date: 2024-01-02 10:50:45

3,4-Dimethoxyphenylacetonitrile Structure
3,4-Dimethoxyphenylacetonitrile structure
Common Name 3,4-Dimethoxyphenylacetonitrile
CAS Number 93-17-4 Molecular Weight 177.200
Density 1.1±0.1 g/cm3 Boiling Point 319.7±0.0 °C at 760 mmHg
Molecular Formula C10H11NO2 Melting Point 54-57 °C(lit.)
MSDS Chinese USA Flash Point 116.6±16.4 °C
Symbol GHS07
GHS07
Signal Word Warning

 Names

Name 3,4-Dimethoxyphenylacetonitrile
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 319.7±0.0 °C at 760 mmHg
Melting Point 54-57 °C(lit.)
Molecular Formula C10H11NO2
Molecular Weight 177.200
Flash Point 116.6±16.4 °C
Exact Mass 177.078979
PSA 42.25000
LogP 1.19
Vapour Pressure 0.0±0.6 mmHg at 25°C
Index of Refraction 1.512
Water Solubility insoluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL9325000
CHEMICAL NAME :
Acetonitrile, 3,4-dimethoxyphenyl-
CAS REGISTRY NUMBER :
93-17-4
BEILSTEIN REFERENCE NO. :
1956100
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H11-N-O2
MOLECULAR WEIGHT :
177.22
WISWESSER LINE NOTATION :
NC1R CO1 DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - analgesia
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 26(2),55,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1029 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - analgesia
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 26(2),55,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
178 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#00302

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes T:Toxic;Xn:Harmful;
Risk Phrases R22;R23/24/25
Safety Phrases S36/37-S45-S22
RIDADR 3276
WGK Germany 3
RTECS AL9325000
Packaging Group I; II; 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%

 Articles4

More Articles
(Z)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (E)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile. [corrected].

Acta Crystallogr. C 63(Pt 12) , o743-5, (2007)

The title compounds, C20H17NO3S, (I), and C19H15NO2S, (II), were prepared by the reaction of benzo[b]thiophene-2-carbaldehyde with (3,4,5-trimethoxyphenyl)acetonitrile and (3,4-dimethoxyphenyl)acetoni...

[Toxicity of 3,4-dimethoxyphenylacetonitrile].

Gig. Tr. Prof. Zabol. (2) , 55, (1982)

Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 82(1) , 444-55, (2011)

This work presents the synthesis and characterization of a novel compound, 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile (abbreviated as 3-(4MP)-2-(4-NP)-AN, C(16)H(12)N(2)O(3)). The spectrosc...

 Synonyms

(3,4-Dimethoxyphenyl)acetonitrile
3,4-dimethoxyphenylacetonitrile
MFCD00016395
EINECS 202-225-1
Acetonitrile, (3,4-dimethoxyphenyl)-
2-(3,4-dimethoxyphenyl)acetonitrile
3,4-Dimethoxyphenylacetonitirle
Benzeneacetonitrile, 3,4-dimethoxy-
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