Basic information
- CAS
4468-57-9- Standard SMILES
COc1cccc(CC#N)c1OC- InChIKey
VAOKGCHIOACZHR-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2,3-Dimethoxyphenylacetonitrile
- IUPAC
- 2-(2,3-dimethoxyphenyl)acetonitrile
- English name
- 2,3-DIMETHOXYPHENYLACETONITRILE
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
2,3-Dimethoxyphenylacetonitrile4468-57-9DTXSID40196274RefChem:81807DTXCID50118765VAOKGCHIOACZHR-UHFFFAOYSA-N2-(2,3-dimethoxyphenyl)acetonitrileMFCD00016387(2,3-dimethoxyphenyl)acetonitrileveratrol-3-acetonitrileSCHEMBL41600512,3-(Dimethoxyphenyl)acetonitrile
Show more names
Enzastaurin Impurity 5Benzeneacetonitrile, 2,3-dimethoxy-2-(2,3-dimethoxyphenyl)ethanenitrile
Dopamine Impurity 532,3-Dimethoxy-benzeneacetonitrile(2,5-Dimethoxy-phenyl)-acetonitrileAKOS00634392AKOS006343924FD66214AS-43972SY238402
Database identifiers
- CAS
4468-57-9- PubChem CID
- 138263
- DTXSID
DTXSID40196274- EC Number
- 675-688-4
- Nikkaji
- J1.101.881E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 125 °C · 125°C 1mm
- Density
- 1 · 1,13 g/cm3
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- T
- HazardClass
- TOXIC
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- hazard_class
- TOXIC
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers42 total
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
Aladdin Scientific[email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
无锡双启科技有限公司18055643310 13961675169 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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