Basic information
- CAS
6940-87-0- Standard SMILES
CCOC(CCC#N)c1ccc(Cl)cc1- InChIKey
VTJNWSPCFNYZEV-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO
- Average molar mass
- 223.7 g/mol
- Monoisotopic mass
- 223.0763918
Names & identifiers
- Preferred name
- 4-Chloro-gamma-ethoxybenzenebutanenitrile
- IUPAC
- 4-(4-chlorophenyl)-4-ethoxybutanenitrile
- English name
- 4-chloro-gamma-ethoxybenzenebutyronitrile
- Molecular formula
- C12H14ClNO
- Molecular weight
- 223.69866
Names & synonyms
DTXSID6012876694-Chloro-gamma-ethoxybenzenebutanenitrileRefChem:521750DTXCID0017183174-(4-chlorophenyl)-4-ethoxybutanenitrile4-Chloro-gamma-ethoxybenzenebutyronitrile6940-87-0NSC60411EINECS 230-093-5SCHEMBL3939065AAA55330NSC 60411
Show more names
4-Chloro-γ-ethoxybenzenebutanenitrile
NSC-60411AKOS0243229894-Chloro-I(3)-ethoxybenzenebutanenitrileNS00043826
Database identifiers
- CAS
6940-87-0- PubChem CID
- 97939
- DTXSID
DTXSID601287669- EC Number
- 230-093-5
- Nikkaji
- J265.975A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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