4-(Diethylamino)benzonitrile
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Basic information
- CAS
2873-90-7- Standard SMILES
CCN(CC)c1ccc(C#N)cc1- InChIKey
KMLGFOAKCYHXCQ-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569845
Names & identifiers
- Preferred name
- 4-(Diethylamino)benzonitrile
- IUPAC
- 4-(diethylamino)benzonitrile
- English name
- 4-Diethylaminobenzonitrile
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
4-(Diethylamino)benzonitrile2873-90-7Benzonitrile, 4-(diethylamino)-p-DiethylaminobenzonitrileEINECS 220-712-7DTXSID90182889NSC 32450RefChem:97427DTXCID80105380220-712-7KMLGFOAKCYHXCQ-UHFFFAOYSA-N4-Diethylaminobenzonitrile
Show more names
P-(DIETHYLAMINO)BENZONITRILE4-Diethylaminobenzonitrile-97%N-[1-[[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
MFCD000197544-(diethylamino)benzenecarbonitrileNSC32450Maybridge3_004418p-CyandiA currencythylanilinSCHEMBL63804HMS1443I18CCG-46568
Database identifiers
- CAS
2873-90-7- PubChem CID
- 76134
- DTXSID
DTXSID90182889- EC Number
- 220-712-7
- Nikkaji
- J306.792K
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Experimental & physicochemical properties
SpringerMaterials PropertiesLuminescence
Physicochemical properties
- Melting point
- 66 · 66-67°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- λmax
- 465 nm · 465nm(EtOH)(lit.)
- BRN
- 973913 · 973913
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H331
- Precautionary statements
- 261 · P261-P280h-P304+P340-P311a-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-22
- Safety Statements
- 22 · 22-36/37
- RIDADR
- 3276 · 3276
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+H311+H331 (20%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 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. 3 (20%)
Safety data
- ridadr
- 3276
- hs_code
- 2926907090
- risk_code
- 20/21/22-22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn
- safety_code
- 22-36/37
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H331
- Precautionary statements
- P261-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Applications
Uses4-(Diethylamino)benzonitrile
Related reactions
1 records
Compound notes
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