4OCB

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Names

[ CAS No. ]:
52709-87-2

[ Name ]:
4OCB

[Synonym ]:
4-cyano-4'-n-butyloxybiphenyl
4OCB
4'-Butoxybiphenyl-4-carbonitrile
4-butoxy-4'-cyano-biphenyl
4-Butoxycyanodiphenyl
[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-
4'-Butoxy-4-biphenylcarbonitrile
MFCD00183755
EINECS 258-123-2
4'-butoxy(1,1'-biphenyl)-4-carbonitrile
4-cyano-4'-butyloxybiphenyl
NCR DR DO4
4-n-butyloxy-4'-cyanobiphenyl
4-Cyano-4'-butoxybiphenyl

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
405.5±38.0 °C at 760 mmHg

[ Melting Point ]:
77 °C

[ Molecular Formula ]:
C17H17NO

[ Molecular Weight ]:
251.323

[ Flash Point ]:
170.3±20.6 °C

[ Exact Mass ]:
251.131012

[ PSA ]:
33.02000

[ LogP ]:
4.70

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.573

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DV1764000
CHEMICAL NAME :
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
CAS REGISTRY NUMBER :
52709-87-2
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C17-H17-N-O

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 34(4),23,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 34(4),23,1990

Safety Information

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Bromobutane
  • 4'-Hydroxy-4-biphenylcarbonitrile
  • Butyl iodide
  • 4-CYANO-4'-NITRODIPHENYL
  • 4-Amino-4'-cyanobiphenyl

DownStream

  • 4'-Butoxy-4-biphenylcarboxylic acid
  • 4-(4-butoxyphenyl)benzaldehyde

Customs

[ HS Code ]: 2926909090

[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Related Compounds

  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide
  • 6-Chloro-9-propyl-7H-purin-8(9H)-one