N,N-Diisopropylaniline

HCID 61329

Notes Reactions

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Basic information

CAS: 4107-98-6
Standard SMILES: CC(C)N(c1ccccc1)C(C)C
InChIKey: OVSARSKQWCLSJT-UHFFFAOYSA-N
Molecular formula: C12H19N
Average molar mass: 177.29 g/mol
Monoisotopic mass: 177.15174961

Names & identifiers

Preferred name: N,N-Diisopropylaniline
IUPAC: N,N-di(propan-2-yl)aniline
English name: N,N-Diisopropylaniline
Molecular formula: C12H19N
Molecular weight: 177.29

Names & synonyms

N,N-DIISOPROPYLANILINEBenzenamine, N,N-bis(1-methylethyl)-DTXSID8042189N,N-DIISOPROPYLBENZENAMINEKEP9PKA41KUNII-KEP9PKA41KDTXCID6022189N,N-BIS(1-METHYLETHYL)BENZENAMINERefChem:161219625-530-5OVSARSKQWCLSJT-UHFFFAOYSA-N4107-98-6

Show more names

N,N-DIISOPROPYLANILI

N,N-di(propan-2-yl)anilineN,N-bis(propan-2-yl)anilineMFCD00048277N,N-Diisopropylaniline 97%diisopropylphenyl amineN,N-diisopropy anilinen,n-diisopropyl-anilinediisopropyl(phenyl)amine

Database identifiers

CAS: 4107-98-6
PubChem CID: 61329
DTXSID: DTXSID8042189
ChEMBL: CHEMBL3185705
UNII: KEP9PKA41K
EC Number: 625-530-5
Nikkaji: J376.928C

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 126

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: -45 °C · -45°C (estimate)
Boiling point: 95 · 95-96 °C11 mm Hg(lit.)
Density: 0.91 g/mL · 0.91 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.519(lit.)
Flash point: 183 °F · 183 °F
storage temp.: Sealed in dry,Room Temperature
pka: 8.05 · 8.05±0.20(Predicted)
form: Liquid
color: Colorless to pale yellow
Sensitive: Light Sensitive
CAS DataBase Reference: 4107 · 4107-98-6(CAS DataBase Reference)
FDA UNII: 9 PKA41K · KEP9PKA41K
EPA Substance Registry System: N,N-Diisopropylaniline (4107-98-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesN,N-Diisopropylaniline was used for the synthesis of 4-diisopropylamino benzonitrile.It may be used for the synthesis of 6-(4-bromophenyl)-3-methoxy-5-methyl-8-oxabicyclo[3.2.1]octa-3,6-dien-2-one.

General DescriptionN,N-Diisopropylaniline is an N,N-dialkylaniline. Its borane adducts have been prepared and reported as hydroborating agents. Thermal dissociation of the borane-N,N-diisopropylaniline adduct has been reported to afford gaseous diborane. N,N-Diisopropylaniline is a diisoproplyamino derivative that can be prepared by reacting bromobenzene with diisopropylamine.

Suppliers66 total

河南赢创生物科技有限公司16650615803 · [email protected]

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

2 records

New reaction record

HRID 135328As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1063126As reactantuspto-grants-2005_11

Compound notes

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