Basic information
- CAS
1821-39-2- Standard SMILES
CCCc1ccccc1N- InChIKey
WKURVXXDGMYSDP-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Names & identifiers
- Preferred name
- 2-Propylaniline
- IUPAC
- 2-propylaniline
- English name
- 2-Propylaniline
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
2-PropylanilineBenzenamine, 2-propyl-o-Propylaniline2-PROPYL-ANILINEANILINE, 2-PROPYL-2-Propylbenzenamineo-Aminopropylbenzene1-Amino-2-propylbenzeneAniline, o-propyl-EINECS 217-346-5UNII-KDP5MSE5C0BRN 0636589
Show more names
2-N-PROPYLANILINE2-propyl-anilino-propyl-anilin2-Propylaniline>2-propylbenzenamine2-propyl-benzenamin
WKURVXXDGMYSDP-UHFFFAOYSA-DTXSID401712484-12-00-02580 (Beilstein Handbook Reference)oPropylaniline2nPropylanilineAniline, opropyl2PropylbenzenamineAniline, 2propyl
Database identifiers
- CAS
1821-39-2- PubChem CID
- 15759
- DTXSID
DTXSID40171248- UNII
- KDP5MSE5C0
- EC Number
- 217-346-5
- Nikkaji
- J55.231C
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90
Experimental & physicochemical properties
Physical DescriptionYellow to brown liquid; [MSDSonline]
Kovats Retention Index
1299
1975
Physicochemical properties
- Melting point
- -6.87 °C · -6.87°C (estimate)
- Boiling point
- 222 · 222-224 °C (lit.)
- Density
- 0.96 g/mL · 0.96 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.547(lit.)
- Flash point
- 208 °F · 208 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- clear liquid
- pka
- 4.06 · 4.06±0.10(Predicted)
- color
- Colorless to Light yellow
- InChI
- 1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
- InChIKey
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazards SummaryHarmful by inhalation, skin absorption, and ingestion; [MSDSonline] See N-Ethylaniline.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Chemistry & industry
Applications
UsesElectropolymerization of 2-propylaniline in highly acidic medium yields poly(2-propylaniline) film. Polymerization and intercalation of 2-propylaniline into iron (III) oxychloride via in situ polymerization/intercalation process has been reported.
General DescriptionElectropolymerization of 2-propylaniline in highly acidic medium yields poly(2-propylaniline) film. Polymerization and intercalation of 2-propylaniline into iron (III) oxychloride via in situ polymerization/intercalation process has been reported.
Upstream & downstream products
Downstream products
Suppliers56 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Related reactions
19 records
Compound notes
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