4-Butylaniline

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Names

[ CAS No. ]:
104-13-2

[ Name ]:
4-Butylaniline

[Synonym ]:
4-Butylaniline
Aniline, 4-butyl-
4-n-BuC6H4NH2
EINECS 203-177-4
p-Aminobutylbenzene
p-n-Butylaniline
4-n-butylbenzenamine
Aniline, p-butyl-
4-butylphenylamine
p-Butylaminobenzene
4-Butylbenzenamine
4-n-Butylaniline
p-Butylaniline
Benzenamine,4-butyl
MFCD00007925
Benzenamine, 4-butyl-
Aniline,p-butyl
para-n-butylaniline

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
261.0±0.0 °C at 760 mmHg

[ Melting Point ]:
-14°C

[ Molecular Formula ]:
C₁₀H₁₅N

[ Molecular Weight ]:
149.233

[ Flash Point ]:
101.7±0.0 °C

[ Exact Mass ]:
149.120453

[ PSA ]:
26.02000

[ LogP ]:
2.99

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.538

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BW9470000

CHEMICAL NAME :: Aniline, 4-butyl-

CAS REGISTRY NUMBER :: 104-13-2

BEILSTEIN REFERENCE NO. :: 1447268

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C10-H15-N

MOLECULAR WEIGHT :: 149.26

WISWESSER LINE NOTATION :: ZR D4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 81 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,900,1974 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 3 mL/kg/3D-I

TOXIC EFFECTS :: Liver - hepatitis (hepatocellular necrosis), zonal Kidney, Ureter, Bladder - inflammation, necrosis, or scarring of bladder Related to Chronic Data - death

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 12,302,1968

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301 + H311 + H331-H315-H319-H335-H412

[ Precautionary Statements ]:
P261-P273-P280-P301 + P310-P305 + P351 + P338-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R23/24/25;R36/37/38

[ Safety Phrases ]:
S23-S26-S36/37/39-S45

[ RIDADR ]:
UN 2810 6.1/PG 3

[ WGK Germany ]:
3

[ RTECS ]:
BW9470000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
29214980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

N-(4-butylphenyl)-4-methylbenzenesulfonamide
1-azido-4-butylbenzene
N-(4-butylphenyl)methanesulfonamide
Butylmagnesium Bromide
4-Iodoaniline
4-Nitrobenzaldehyde
(2R)-2-{[(E)-(4-nitrophenyl)methylidene]amino}-2-phenylacetamide
Butylbenzene
4-Butyl-N,N-bis(trimethylsilyl)anilin

DownStream

2-[[6-amino-2-(4-butylanilino)purin-9-yl]methoxy]ethanol,hydrate
2,6-Dibromo-4-butylaniline
2-bromo-4-butylaniline
(2R,3S,5S)-5-[2-(4-butylanilino)-6-chloropurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
[4-(3-bromopropoxy)phenyl]-(4-butylphenyl)diazene
2-[[2-(4-butylanilino)-6-methoxypurin-9-yl]methoxy]ethanol,hydrate
2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
N-(4-butylphenyl)-7H-purin-2-amine
2-[[2-(4-butylanilino)-6-chloropurin-9-yl]methoxy]ethanol
(2R,3S,5S)-5-[2-(4-butylanilino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol,hydrate

Customs

[ HS Code ]: 2921420090

[ Summary ]:
HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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