Benzenamine, 4-propoxy- (HCID 78221)

Names & identifiers

Preferred name: Benzenamine, 4-propoxy-
IUPAC: 4-propoxyaniline
English name: 4-PROPOXYANILINE
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

4-Propoxyaniline4469-80-1Benzenamine, 4-propoxy-4-propoxybenzenamineEINECS 224-740-0DTXSID6063486RefChem:561906DTXCID3040352224-740-0p-Propoxyaniline4-n-PropoxyanilineMFCD00043621

Show more names

AKOS BBB/084AKOS BC-2570TIMTEC-BB SBB0083164-propoxy-benzenamin

4-propoxyaniline hydrochloride4-propoxyphenylamineEN300-619364-Propyloxyaniline4-Propoxyaniline #Aniline, p-propoxy-4-propoxy-phenylamine3EW35D3AFQ

Database identifiers

CAS: 4469-80-1
PubChem CID: 78221
DTXSID: DTXSID6063486
UNII: 3EW35D3AFQ
EC Number: 224-740-0
Nikkaji: J205.851K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97

Physicochemical properties

Melting point: 265 · 265-267℃
Boiling point: 261.7 · 261.7±13.0℃ (760 Torr)
Density: 1.016 · 1.016±0.06 g/cm3 (20 ºC 760 Torr)
Flash point: 230 °F · >230 °F
solubility: Slightly soluble (1.3 g/L at 25°C).
form: Liquid
pka: 5.24 · 5.24±0.10(Predicted)
color: Brown
InChI: InChI=1S/C9H13NO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7,10H2,1H3
InChIKey: DWOIGSLSPPLRKO-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(OCCC)C=C1
CAS DataBase Reference: 4469 · 4469-80-1
EPA Substance Registry System: 4 · Benzenamine, 4-propoxy- (4469-80-1)
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-P305+P351+P338-P280a-P304+P340-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 2922290090 · 2922290090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

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 42 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.