Basic information
- CAS
500016-41-1- Standard SMILES
COc1cc(CC#N)c(Cl)c(OC)c1- InChIKey
WRRZHKKTEADEAO-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO2
- Average molar mass
- 211.64 g/mol
Names & identifiers
- Preferred name
- 2-(2-Chloro-3,5-dimethoxyphenyl)acetonitrile
- IUPAC
- 2-(2-chloro-3,5-dimethoxyphenyl)acetonitrile
- English name
- Benzeneacetonitrile, 2-chloro-3,5-dimethoxy-
- Molecular formula
- C10H10ClNO2
- Molecular weight
- 211.64
Names & synonyms
2-(2-chloro-3,5-dimethoxyphenyl)acetonitrile500016-41-1(2-chloro-3,5-dimethoxyphenyl)acetonitrileAP-383/40724330SCHEMBL4716537MFCD032369792-chloro-3,5-dimethoxybenzyl cyanide2-chloro-3,5-dimethoxy-BenzeneacetonitrileCS-0129827Benzeneacetonitrile, 2-chloro-3,5-dimethoxy-2-(2-chloro-3,5-dimethoxy-phenyl)acetonitrileE86958
Show more names
F608003
Database identifiers
- CAS
500016-41-1
Properties
Computed structural properties
- XLogP
- 2.1
- 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
- 225
Physicochemical properties
- Melting point
- 115 °C · 115 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
- Boiling point
- 344.9 · 344.9±37.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
兰州金诚楷摩医药科技有限公司13361936468 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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