o-Butyl-aniline

HCID 75909

Notes Reactions

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Basic information

CAS: 2696-85-7
Standard SMILES: CCCCc1ccccc1N
InChIKey: HDVUPIFFKAHPJY-UHFFFAOYSA-N
Molecular formula: C10H15N
Average molar mass: 149.23 g/mol
Monoisotopic mass: 149.12044948

Names & identifiers

Preferred name: o-Butyl-aniline
IUPAC: 2-butylaniline
English name: 2-N-BUTYLANILINE
Molecular formula: C10H15N
Molecular weight: 149.23

Names & synonyms

2-Butylaniline2696-85-7o-Butyl-anilineDTXSID60181445EINECS 220-272-6RefChem:855213DTXCID70103936220-272-6Benzenamine, 2-butyl-2-N-butylanilineo-aminobutylbenzene2-butyl aniline

Show more names

Butylaniline2-Butylaniline>2-butylbenzeneamine(2-butylphenyl)amine2-N-BUTYLANILINE 95+%

Amino-ButylbenzoleMFCD00130033SCHEMBL44325CHEBI:190986AKOS006221873AS-56562CS-03130342-butylbenzenamine

Database identifiers

CAS: 2696-85-7
PubChem CID: 75909
DTXSID: DTXSID60181445
ChEBI: CHEBI:190986
UNII: 4V8L59L584
EC Number: 220-272-6
Nikkaji: J153.241C

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 101

Experimental & physicochemical properties

Kovats Retention Index · 2 items

1390

2076

Physicochemical properties

Boiling point: 126 °C · 126 °C / 15mmHg
Density: 0 · 0,95 g/cm3
refractive index: 1.536 · 1.5360-1.5390
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
pka: 4.27 · 4.27±0.10(Predicted)
color: Colorless to Red to Green
InChI: 1S/C10H15N/c1-2-3-6-9-7-4-5-8-10(9)11/h4-5,7-8H,2-3,6,11H2,1H3
InChIKey: HDVUPIFFKAHPJY-UHFFFAOYSA-N
SMILES: CCCCc1ccccc1N
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
target organs: Respiratory system
Risk Statements: 20 · 20/21/22-36
Safety Statements: 23 · 23-36/37/39-26
WGK Germany: 3 · WGK 3
HS Code: 2921490090 · 2921490090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): 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 40 reports by companies from 3 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

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)

Safety data

wgk: WGK 3
hs_code: 2921490090
risk_code: 20/21/22-36
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-36/37/39-26
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501