CAS 93-17-4|3,4-Dimethoxyphenylacetonitrile

Introduction：Basic information about CAS 93-17-4|3,4-Dimethoxyphenylacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs
6. Articles4
7. Synonyms

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	ChineseUSA	Flash Point	116.6±16.4 °C
Symbol	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
InChIKey	ASLSUMISAQDOOB-UHFFFAOYSA-N
SMILES	COc1ccc(CC#N)cc1OC
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
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

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

(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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