4-(Diethylamino)benzonitrile

HCID 76134CAS 2873-90-7
Substructure searchFind similar structures

Basic information

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 properties

XLogP
2.9
Topological polar surface area
27 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
13

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Applications

Uses4-(Diethylamino)benzonitrile

Suppliers30 total

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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