Basic information
- CAS
74205-55-3- Standard SMILES
CCOc1cccc(CC#N)c1- InChIKey
MBJQDUQVRZNFHX-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 3-Ethoxyphenylacetonitrile
- IUPAC
- 2-(3-ethoxyphenyl)acetonitrile
- English name
- 3-ETHOXYPHENYLACETONITRILE
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
3-Ethoxyphenylacetonitrile74205-55-3DTXSID60407253RefChem:279055DTXCID103581052-(3-ethoxyphenyl)acetonitrileMFCD00016397(3-ethoxyphenyl)acetonitrileMethoxybenzylcyanidSCHEMBL2294721AKOS006344168CS-0299466
Show more names
Benzeneacetonitrile, 3-ethoxy-
EN300-1857700
Database identifiers
- CAS
74205-55-3- PubChem CID
- 4985227
- DTXSID
DTXSID60407253
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 103 °C · 103°C 1mm
- Density
- 1 · 1,03 g/cm3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3276 · 3276
- HazardClass
- IRRITANT
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
- ridadr
- 3276
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501
Chemistry & industry
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [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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