4-Butyloxyaniline

HCID 20352CAS 4344-55-2

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Basic information

Standard SMILES: CCCCOc1ccc(N)cc1
InChIKey: UBRIHZOFEJHMIT-UHFFFAOYSA-N
Molecular formula: C10H15NO
Average molar mass: 165.23 g/mol
Monoisotopic mass: 165.1153641

Names & identifiers

Preferred name: 4-Butyloxyaniline
IUPAC: 4-butoxyaniline
English name: 4-Butoxyaniline
Molecular formula: C10H15NO
Molecular weight: 165.23

Names & synonyms

4-Butoxyaniline4344-55-2p-ButoxyanilineBenzenamine, 4-butoxy-p-Butyloxyaniline4-ButyloxyanilineANILINE, p-BUTOXY-p-Aminophenol n-butyl etherAminophenyl-n-butyl ether(4-butoxyphenyl)amineDTXSID4048199p-n-butoxyaniline

Show more names

AKOS BBB/082AKOS BC-25724-Butoxyanlinep-butoxy-anilinn-But-O-C6H4-NH24-N-BUTOXYANILINE

NSC 5443EINECS 224-402-2BRN 2084421P0PI549RZ4NSC-54434-BUTOXYBENZENAMINE4-AMINO-1-BUTOXYBENZENEDTXCID9028174

Database identifiers

CAS: 4344-55-2
PubChem CID: 20352
DTXSID: DTXSID4048199
ChEMBL: CHEMBL3184190
UNII: P0PI549RZ4
EC Number: 224-402-2
Nikkaji: J59.931J

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 130 · 130-132 °C
Boiling point: 148 · 148-149 °C13 mm Hg(lit.)
Density: 0.992 g/mL · 0.992 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.538(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
pka: 5.23 · 5.23±0.10(Predicted)
color: Colorless to Brown
Specific Gravity: 1 · approximate 1
BRN: 2084421 · 2084421
InChI: 1S/C10H15NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8,11H2,1H3
InChIKey: UBRIHZOFEJHMIT-UHFFFAOYSA-N
SMILES: CCCCOc1ccc(N)cc1
CAS DataBase Reference: 4344 · 4344-55-2(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 0 PI549RZ4 · P0PI549RZ4
NIST Chemistry Reference: 4 · Benzenamine, 4-butoxy-(4344-55-2)
EPA Substance Registry System: 4 · Benzenamine, 4-butoxy- (4344-55-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-28-36/37/39-45
RIDADR: 2810 · 2810
WGK Germany: 3 · 3
RTECS: 9420000 · BW9420000
Hazard Note: Irritant
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29214200 · 29214200
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
rtecs: BW9420000
ridadr: 2810
hs_code: 29214200
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Irritant
safety_code: 26-28-36/37/39-45
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications

Uses4-Butoxyaniline was used in the preparation of:bis-4-butoxyphenyl-4,4′-(2,2′-bipyridyl)carbamide1-(4-butoxyphenyl)-3-(6-methyl-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl)urea

General Description4-Butoxyaniline undergoes low-pressure hydrogenation in the presence of rhodium on alumina to yield 4-butoxycyclohexylamine.