4'-(Heptyloxy)-4-biphenylcarbonitrile

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Names

[ CAS No. ]:
52364-72-4

[ Name ]:
4'-(Heptyloxy)-4-biphenylcarbonitrile

[Synonym ]:
NCR DR DO7
4'-Heptyloxy-4-cyanobiphenyl
EINECS 257-876-4
4'-Heptyloxy-4-biphenylcarbonitrile
[1,1'-Biphenyl]-4-carbonitrile, 4'-(heptyloxy)-
4-(4-heptoxyphenyl)benzonitrile
4'-(heptyloxy)biphenyl-4-carbonitrile
4'-Heptyloxy-[1,1'-biphenyl]-4-carbonitrile
4'-(Heptyloxy)-4-biphenylcarbonitrile
4'-(Heptyloxy)-[1,1'-biphenyl]-4-carbonitrile
MFCD00134146

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
442.9±38.0 °C at 760 mmHg

[ Melting Point ]:
54-57 °C(lit.)

[ Molecular Formula ]:
C20H23NO

[ Molecular Weight ]:
293.403

[ Flash Point ]:
185.1±20.6 °C

[ Exact Mass ]:
293.177979

[ PSA ]:
33.02000

[ LogP ]:
6.30

[ Appearance of Characters ]:
liquid crystal (nematic)

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.557

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DV1764100
CHEMICAL NAME :
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CAS REGISTRY NUMBER :
52364-72-4
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C20-H23-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

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
DV1764100

[ Packaging Group ]:
III

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-bromo-4-(4-heptoxyphenyl)benzene
  • bromoheptane
  • 4'-Hydroxy-4-biphenylcarbonitrile
  • 4-CYANO-4'-NITRODIPHENYL
  • 4-Amino-4'-cyanobiphenyl
  • 1,4-Dibromobenzene

DownStream

  • 4-(4-heptoxyphenyl)benzoic acid

Related Compounds

  • 4'-Hydroxy-4-biphenylcarbonitrile
  • 4'-Propoxy-4-biphenylcarbonitrile
  • 4'-(Octyloxy)-4-biphenylcarbonitrile
  • 4'-(Decyloxy)-4-biphenylcarbonitrile
  • 4'-Methyl-4-biphenylcarbonitrile
  • 4'-(2H11)Pentyl-4-biphenylcarbonitrile
  • Methyl 2-(Cyanomethyl)nicotinate
  • Potassium (3-(chloromethyl)phenyl)trifluoroborate
  • 2,2-Difluoro-2-(2-methoxy-3,4-dimethylphenyl)acetic acid
  • 3-(2-Hydroxypropyl)piperidin-2-one
  • 6-Cyclopropyl-4-(2-ethyl-6-methylmorpholine-4-carbonyl)-2-(methylsulfanyl)pyridine-3-carbonitrile
  • 3-(3-Hydroxy-3-methylbutyl)piperidin-2-one
  • 1-{2-[2-(Propan-2-yl)-1,3-thiazol-4-yl]ethyl}cyclopropan-1-amine
  • 2-Phenyl-2-azabicyclo[2.1.1]hexane-3-carboxylic acid
  • 3-{[4-(Hydroxymethyl)phenyl]methyl}piperidin-2-one
  • 3-(3-Hydroxybutyl)piperidin-2-one
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