3,4-Dimethoxyphenylacetonitrile

Modify Date: 2026-06-30 16:05:14

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	Signal Word	Warning

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	3,4-Dimethoxyphenylacetonitrile
Synonym	More Synonyms

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

3,4-Dimethoxyphenylacetonitrile MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 10
CAS#:5663-56-9 3,4-Dimethoxyph... CAS#:145736-65-8 3,4-dimethoxyph... CAS#:120-20-7 3,4-Dimethoxyph... CAS#:928664-98-6 4-Isoxazoleboro...
CAS#:2859-78-1 4-Bromoveratrole CAS#:77733-60-9 3,4-dimethoxyph... CAS#:84784-38-3 α-(3,4-dimethox... CAS#:120-14-9 veratraldehyde
CAS#:93-03-8 3,4-Dimethoxybe... CAS#:151-50-8 POTASSIUM CYANIDE
DownStream 10
CAS#:34245-14-2 rac D 617 (Vera... CAS#:313957-85-6 5-(3,4-DIMETHOX... CAS#:554-52-9 3-Methoxytyramine CAS#:3490-06-0 N-Methylhomover...
CAS#:4697-62-5 Benzeneacetic a... CAS#:4468-59-1 4-Hydroxy-3-met... CAS#:81038-45-1 2-bromo-5-hydro... CAS#:4468-58-0 2-(3-hydroxy-4-...
CAS#:16135-41-4 3H-2-Benzopyran... CAS#:21763-07-5 6,7-dimethoxy-2...

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table lists relevant public references with title, journal and publication metadata for this compound.

(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...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262

Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose

Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose

Total 4, Current Page 1 of 1

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

(3,4-Dimethoxyphenyl)acetonitrile

3,4-dimethoxyphenylacetonitrile

MFCD00016395

EINECS 202-225-1

2-(3,4-dimethoxyphenyl)acetonitrile

3,4-Dimethoxyphenylacetonitirle

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the molecular weight of 3,4-Dimethoxyphenylacetonitrile?

A: Molecular weight of 3,4-Dimethoxyphenylacetonitrile is 177.200.

Q: What are the downstream products of 3,4-Dimethoxyphenylacetonitrile?

A: Related downstream products(CAS) of 3,4-Dimethoxyphenylacetonitrile: 34245-14-2;313957-85-6;554-52-9;3490-06-0;4697-62-5;4468-59-1;81038-45-1;4468-58-0;16135-41-4;21763-07-5.

Q: What English synonyms does 3,4-Dimethoxyphenylacetonitrile have?

A: English synonyms of 3,4-Dimethoxyphenylacetonitrile: (3,4-Dimethoxyphenyl)acetonitrile, 3,4-dimethoxyphenylacetonitrile, MFCD00016395, EINECS 202-225-1, 2-(3,4-dimethoxyphenyl)acetonitrile, 3,4-Dimethoxyphenylacetonitirle.

Q: What is the InChIKey of 3,4-Dimethoxyphenylacetonitrile?

A: InChIKey of 3,4-Dimethoxyphenylacetonitrile is ASLSUMISAQDOOB-UHFFFAOYSA-N.

Q: What is the molecular formula of 3,4-Dimethoxyphenylacetonitrile?

A: Molecular formula of 3,4-Dimethoxyphenylacetonitrile is C10H11NO2.

Q: What are the upstream materials of 3,4-Dimethoxyphenylacetonitrile?

A: Related upstream materials(CAS) of 3,4-Dimethoxyphenylacetonitrile: 5663-56-9;145736-65-8;120-20-7;928664-98-6;2859-78-1;77733-60-9;84784-38-3;120-14-9;93-03-8;151-50-8.

Q: What is the SMILES notation of 3,4-Dimethoxyphenylacetonitrile?

A: SMILES notation of 3,4-Dimethoxyphenylacetonitrile is COc1ccc(CC#N)cc1OC.

Q: What is the melting point of 3,4-Dimethoxyphenylacetonitrile?

A: Melting point of 3,4-Dimethoxyphenylacetonitrile is 54-57 °C(lit.).

Q: What is the safety information for 3,4-Dimethoxyphenylacetonitrile?

A: Safety information for 3,4-Dimethoxyphenylacetonitrile: S36/37-S45-S22.

Q: How is the water solubility of 3,4-Dimethoxyphenylacetonitrile?

A: Water solubility of 3,4-Dimethoxyphenylacetonitrile: insoluble.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

Henan Tianfu Chemical Co., Ltd.

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 3,4-Dimethoxyphenylacetonitrile
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: (3,4-Dimethoxyphenyl)acetonitrile
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: 3,4-Dimethoxyphenylacetonitrile
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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3,4-Dimethoxyphenylacetonitrile

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