| Identification | More | [Name]
(3,4-Dimethoxyphenyl)acetonitrile | [CAS]
93-17-4 | [Synonyms]
3,5-DIMETHOXY-BENZENEACETONITRILE
3,5-DIMETHOXYPHENYLACETONITRILE
HOMOVERATONITRILE
TIMTEC-BB SBB005899
3,4-dimethoxy-benzeneacetonitril
3,4-dimethoxybenzeneacetonitrile
3,4-dimethoxybenzyl
3,4-dimethoxyphenyl-acetonitril
Acetonitrile, (3,4-dimethoxyphenyl)-
3,4-Dimethoxybenzyl Acetonitrile
Homoveratronitrile98%
(3,4-Dimethoxyphenyl)acetonitrile, 99+%
3,4-DIMETHOXYPHENYLACETONITRILE/HOMOVERATRONITRILE
(3,4-Dimethoxyphenyl)acetonitrile
3,4-Dimethoxybenzyl cyanide
Homoveratronitrile
Veratryl cyanide
BENZENEACETONITRILE,3,4-DIMETHOXY
3,4-Dimethoxybenzylacetontrile
3,4-Dimethoxylphenylacetonitrile | [EINECS(EC#)]
202-225-1 | [Molecular Formula]
C10H11NO2 | [MDL Number]
MFCD00016395 | [Molecular Weight]
177.2 | [MOL File]
93-17-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to almost white crystals or cryst. needles | [Melting point ]
54-57 °C(lit.)
| [Boiling point ]
171-178 °C10 mm Hg(lit.)
| [density ]
1.1607 (rough estimate) | [refractive index ]
1.5168 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
methanol: 0.1 g/mL, clear
| [form ]
Crystals or Crystalline Needles | [color ]
yellow
| [Water Solubility ]
insoluble | [BRN ]
1956100 | [Exposure limits]
NIOSH: IDLH 25 mg/m3 | [InChI]
1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5H2,1-2H3 | [InChIKey]
ASLSUMISAQDOOB-UHFFFAOYSA-N | [SMILES]
COc1ccc(CC#N)cc1OC | [LogP]
0.915 | [CAS DataBase Reference]
93-17-4(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzeneacetonitrile, 3,4-dimethoxy-(93-17-4) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P301+P312+P330 | [Hazard Codes ]
Xn,T | [Risk Statements ]
R22:Harmful if swallowed.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S22:Do not breathe dust .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
3276 | [WGK Germany ]
3
| [RTECS ]
AL9325000
| [Hazard Note ]
Irritant | [REACH Registrations]
Active | [HazardClass ]
IRRITANT | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,2-Dimethoxybenzene | [Preparation Products]
5-chloro-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile-->3,4-Dimethoxyphenethylamine-->4-Hydroxy-3-methoxyphenylacetonitrile-->1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline-->3,4-Dimethoxytoluene-->(3,4-Dihydroxyphenyl)acetonitrile-->5-(3,4-Dimethoxy-benzyl)-[1,3,4]thiadiazol-2-ylamine-->3,4-Dimethoxyphenyl-thioacetamide-->Benzeneacetonitrile, α,α-diethyl-3,4-dimethoxy--->1-(3,4-Dimethoxy-phenyl)-cyclopropanecarboxylic acid-->3,4-DiMethoxy-6-iodophenylacetonitrile-->4-(3,4-Dimethoxyphenyl)-1H-pyrazol-5-amine |
| Hazard Information | Back Directory | [Chemical Properties]
white to almost white crystals or cryst. needles | [Uses]
An Impurity of Verapamil (V125000). An intermediate in the preparation of the muscle relaxant Papverine (P190500). | [Synthesis Reference(s)]
Journal of the American Chemical Society, 57, p. 1126, 1935 DOI: 10.1021/ja01309a053
Tetrahedron Letters, 24, p. 4533, 1983 DOI: 10.1016/S0040-4039(00)85947-X | [Purification Methods]
Its solubility is 10% in MeOH, and it has been recrystallised from EtOH or MeOH. Purify it also by distillation followed by recrystallisation. [Price & Rogers Org Synth Coll Vol III 174 1955, Niederl & Ziering J Am Chem Soc 64 885 1952, Julian & Sturgis J Am Chem Soc 57 1126 1935, Beilstein 10 I 198.] |
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| Company Name: |
J & K SCIENTIFIC LTD.
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| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Jia Xing Isenchem Co.,Ltd
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| Telephone: |
0573-85285100 18627885956 |
| Website: |
https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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