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39905-57-2

39905-57-2 Structure

39905-57-2 Structure
IdentificationMore
[Name]

P-HEXYLOXYANILINE
[CAS]

39905-57-2
[Synonyms]

4-HEXYLOXYANILINE
4-N-HEXYLOXYANILINE
AKOS BBB/081
P-HEXYLOXYANILINE
TIMTEC-BB SBB007956
(p-hexyloxy)-anilin
4-(hexyloxy)-benzenamin
4-(hexyloxy)benzenamine
Aniline, (p-hexyloxy)-
4-HEXYLOXYANILINE 99%
4-(hexyloxy)phenylamine
[EINECS(EC#)]

254-696-8
[Molecular Formula]

C12H19NO
[MDL Number]

MFCD00007868
[Molecular Weight]

193.29
[MOL File]

39905-57-2.mol
Chemical PropertiesBack Directory
[Appearance]

brown crystalline mass
[Melting point ]

43-45 °C(lit.)
[Boiling point ]

155-158 °C5 mm Hg(lit.)
[density ]

0.9854 (rough estimate)
[refractive index ]

1.4596 (estimate)
[Fp ]

>230 °F
[storage temp. ]

Storage temp. 2-8°C
[form ]

Solid
[pka]

5.26±0.10(Predicted)
[color ]

White to brown
[InChI]

1S/C12H19NO/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h6-9H,2-5,10,13H2,1H3
[InChIKey]

DJRKHTCUXRGYEU-UHFFFAOYSA-N
[SMILES]

CCCCCCOc1ccc(N)cc1
[CAS DataBase Reference]

39905-57-2(CAS DataBase Reference)
[EPA Substance Registry System]

Benzenamine, 4-(hexyloxy)- (39905-57-2)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335-H400
[Precautionary statements ]

P273-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

BY2308000
[TSCA ]

Yes
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29221990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

mouse,LD50,oral,500mg/kg (500mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947.
Hazard InformationBack Directory
[Chemical Properties]

brown crystalline mass
[Uses]

4-(Hexyloxy)aniline was used in the synthesis of 4-hydroxy-4′-hexyloxyazobenzene.
[Definition]

ChEBI: 4-Hexyloxyaniline is an aromatic ether and a substituted aniline.
[Synthesis Reference(s)]

Journal of Medicinal Chemistry, 45, p. 2260, 2002 DOI: 10.1021/jm010261z
Spectrum DetailBack Directory
[Spectrum Detail]

P-HEXYLOXYANILINE(39905-57-2)MS
P-HEXYLOXYANILINE(39905-57-2)1HNMR
P-HEXYLOXYANILINE(39905-57-2)13CNMR
P-HEXYLOXYANILINE(39905-57-2)IR1
P-HEXYLOXYANILINE(39905-57-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Hexyloxyaniline, 99%(39905-57-2)
[Sigma Aldrich]

39905-57-2(sigmaaldrich)
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