Basic information
- CAS
6443-72-7- Standard SMILES
COc1ccc(C=CC#N)cc1OC- InChIKey
WGPTVEZJYRFEGT-UHFFFAOYSA-N- Molecular formula
- C11H11NO2
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.07897859
Names & identifiers
- Preferred name
- 3-(3,4-Dimethoxyphenyl)-2-propenenitrile
- IUPAC
- 3-(3,4-dimethoxyphenyl)prop-2-enenitrile
- English name
- 3,4-Dimethoxycinnamonitrile
- Molecular formula
- C11H11NO2
- Molecular weight
- 189.21
Names & synonyms
DTXSID3012756253-(3,4-Dimethoxyphenyl)-2-propenenitrileRefChem:491448DTXCID9017061676443-72-73-(3,4-dimethoxyphenyl)prop-2-enenitrile3,4-Dimethoxycinnamonitrile, predominantly trans(2E)-3-(3,4-dimethoxyphenyl)acrylonitrileOprea1_734101SCHEMBL4496391WGPTVEZJYRFEGT-UHFFFAOYSA-NAKOS017269740
Show more names
Cinnamonitrile, 3,4-dimethoxy-NSC 51968Donepezil Impurity 67Donepezil Intermediate 213,4-DIMETHOXYCINNAMONITRILE3,4- twoMethoxy cinnaMic acid3-(3,4-Dimethoxyphenyl)acrylonitrileβ-(3,4-Dimethoxyphenyl)acrylonitrilecis/trans-3,4-Dimethoxycinnamonitrile
3-(3,4-Dimethoxyphenyl)Acrylonitrile; Nsc 51968
Database identifiers
- CAS
6443-72-7- PubChem CID
- 97872
- DTXSID
DTXSID301275625- EC Number
- 229-240-6
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 181 · 181-184C
- Boiling point
- 324.47 °C · 324.47°C (rough estimate)
- Density
- 1.1596 · 1.1596 (rough estimate)
- refractive index
- 1.5012 · 1.5012 (estimate)
- form
- Crystalline powder
- color
- Yellow
- InChI
- 1S/C11H11NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h3-6,8H,1-2H3/b4-3+
- InChIKey
- WGPTVEZJYRFEGT-ONEGZZNKSA-N
- SMILES
- COc1ccc(\C=C\C#N)cc1OC
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 280 · P280
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29269090
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36-36/37/39-26-24/25
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses3,4-Dimethoxycinnamonitrile undergoes condensation with ethyl glycollate to yield 2-(3,4-dimethoxyphenyl)-3-cyanotetrahydrofuran-4-one.
General Description3,4-Dimethoxycinnamonitrile undergoes condensation with ethyl glycollate to yield 2-(3,4-dimethoxyphenyl)-3-cyanotetrahydrofuran-4-one.
Suppliers60 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Hangzhou Verychem Science And Technology Co.Ltd+86-86-57188162785 +8613606544505 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
河北秒变生物科技有限公司17733850068
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Related reactions
4 records
Compound notes
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