1-(2,4-Dichlorophenyl)cyclopropanecarbonitrile
Basic information
- CAS
71463-55-3- Standard SMILES
N#CC1(c2ccc(Cl)cc2Cl)CC1- InChIKey
VDKKBWVLLSVWKI-UHFFFAOYSA-N- Molecular formula
- C10H7Cl2N
- Average molar mass
- 212.07 g/mol
- Monoisotopic mass
- 210.9955546
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenyl)cyclopropanecarbonitrile
- IUPAC
- 1-(2,4-dichlorophenyl)cyclopropane-1-carbonitrile
- English name
- 1-(2,4-Dichlorophenyl)-1-cyclopropyl cyanide
- Molecular formula
- C10H7Cl2N
- Molecular weight
- 212.08
Names & synonyms
1-(2,4-Dichlorophenyl)cyclopropanecarbonitrile71463-55-31-(2,4-dichlorophenyl)cyclopropane-1-carbonitrileL36VDS8JSDEINECS 275-494-6DTXSID90221681Cyclopropanecarbonitrile, 1-(2,4-dichlorophenyl)-RefChem:73987DTXCID20144172275-494-6MFCD000448181-(2,4-DICHLOROPHENYL)-1-CYCLOPROPYL CYANIDE
Show more names
1-(2,4-Dichlorophenyl)-1-cyclopropyl cyanide,98%
UNII-L36VDS8JSDSCHEMBL838201SCHEMBL29457607AC6672SBB016973AKOS009157213AS-67168SY225751
Database identifiers
- CAS
71463-55-3- PubChem CID
- 1268258
- DTXSID
DTXSID90221681- UNII
- L36VDS8JSD
- EC Number
- 275-494-6
- Nikkaji
- J295.033B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 81 · 81-85 °C
- Boiling point
- 344.5 °C · 344.5°C (rough estimate)
- Density
- 1.3612 · 1.3612 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- White to off-white Solid
- FDA UNII
- 36 VDS8JSD · L36VDS8JSD
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 24 · 24/25-23
- HS Code
- 29269095 · 29269095
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
H302 (96.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P270, P272, P273, P280, P301+P317, P302+P352, P316, P321, P330, P333+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 29 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 (96.6%)
Safety data
- hs_code
- 29269095
- risk_code
- 23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- T
- safety_code
- 24/25-23
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Related reactions
2 records
Compound notes
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