4'-Propoxy-4-biphenylcarbonitrile

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Names

[ CAS No. ]:
52709-86-1

[ Name ]:
4'-Propoxy-4-biphenylcarbonitrile

[Synonym ]:
NCR DR DO3
[1,1'-Biphenyl]-4-carbonitrile, 4'-propoxy-
4'-Propoxy-[1,1'-biphenyl]-4-carbonitrile
4-Cyano-4'-n-propoxybiphenyl
4'-PROPOXY-BIPHENYL-4-CARBONITRILE
4-Propoxy-4'-cyanobiphenyl
EINECS 258-122-7
4-Cyano-4'-propoxy-1,1'-biphenyl
4'-Propoxy-4-biphenylcarbonitrile
MFCD00183206
4'-Propoxybiphenyl-4-carbonitrile

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
393.1±35.0 °C at 760 mmHg

[ Melting Point ]:
168-169 °C(lit.)

[ Molecular Formula ]:
C16H15NO

[ Molecular Weight ]:
237.296

[ Flash Point ]:
165.4±19.8 °C

[ Exact Mass ]:
237.115356

[ PSA ]:
33.02000

[ LogP ]:
4.17

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

[ Index of Refraction ]:
1.581

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DV1764600
CHEMICAL NAME :
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CAS REGISTRY NUMBER :
52709-86-1
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C16-H15-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 :
>5 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 :
>700 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

[ Hazard Codes ]:
Xn,Xi

[ Risk Phrases ]:
R22:Harmful if swallowed. R37/38:Irritating to respiratory system and skin . R41:Risk of serious damage to eyes. R36/37/38:Irritating to eyes, respiratory system and skin .

[ Safety Phrases ]:
S26-S37/39-S36/37/39

[ WGK Germany ]:
3

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Bromo-4'-propoxy-1,1'-biphenyl
  • 4'-Hydroxy-4-biphenylcarbonitrile
  • 1-Bromopropane
  • 4-CYANO-4'-NITRODIPHENYL
  • 4-Amino-4'-cyanobiphenyl
  • 1,4-Dibromobenzene

DownStream

  • 4-PROPOXY-4'-BIPHENYLCARBOXYLIC ACID

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'-propoxy-4-methylbiphenyl
  • A-331440 dihydrochloride
  • (4-butylphenyl) 4-(4-propoxyphenyl)benzoate
  • 4'-(Octyloxy)-4-biphenylcarbonitrile
  • 4'-(Heptyloxy)-4-biphenylcarbonitrile
  • 4'-Methyl-4-biphenylcarbonitrile
  • tert-butyl N-cyclopropyl-N-(2-oxohex-5-yn-1-yl)carbamate
  • tert-butyl N-cyclopropyl-N-(2-oxohexyl)carbamate
  • tert-butyl N-cyclopropyl-N-(3-methyl-2-oxopentyl)carbamate
  • tert-butyl N-cyclopropyl-N-(3-ethoxy-2-oxopropyl)carbamate
  • tert-butyl N-cyclopentyl-N-(2-oxobut-3-yn-1-yl)carbamate
  • tert-butyl N-cyclopentyl-N-(2-oxobut-3-en-1-yl)carbamate
  • Tert-butyl 4-(2-oxobut-3-yn-1-yl)piperazine-1-carboxylate
  • tert-butyl N-[2-(4-methyl-1,3-thiazol-2-yl)-2-oxoethyl]carbamate
  • tert-butyl N-[(2S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxopropan-2-yl]carbamate
  • 3-(Methylamino)-1-(1,3-thiazol-2-yl)propan-1-one
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