4-Bromobenzyl cyanide

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Names

[ CAS No. ]:
16532-79-9

[ Name ]:
4-Bromobenzyl cyanide

[Synonym ]:
4-Bromobenzyl cyanide
EINECS 240-602-2
MFCD00001916
2-(4-bromophenyl)acetonitrile
(4-Bromophenyl)acetonitrile
4-bromophenylacetonitrile
Benzeneacetonitrile, 4-bromo-
4-Bromo phenylacetonitrile

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
286.2±15.0 °C at 760 mmHg

[ Melting Point ]:
47-49 °C(lit.)

[ Molecular Formula ]:
C8H6BrN

[ Molecular Weight ]:
196.044

[ Flash Point ]:
126.9±20.4 °C

[ Exact Mass ]:
194.968353

[ PSA ]:
23.79000

[ LogP ]:
2.22

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.573

[ Water Solubility ]:
slightly soluble

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL8090000
CHEMICAL NAME :
Acetonitrile, (p-bromophenyl)-
CAS REGISTRY NUMBER :
16532-79-9
BEILSTEIN REFERENCE NO. :
1861069
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H6-Br-N
MOLECULAR WEIGHT :
196.06
WISWESSER LINE NOTATION :
NC1R DE

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03252

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301-H312 + H332-H315-H319-H335

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

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R20/21/22;R36/37/38

[ Safety Phrases ]:
S26-S36/37/39-S38-S26/36/37/39

[ RIDADR ]:
3276

[ WGK Germany ]:
3

[ RTECS ]:
AL8090000

[ Packaging Group ]:
III

[ Hazard Class ]:
6.1

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • sodium cyanide
  • 4-Bromobenzyl bromide
  • Sodium cyanide
  • Tosyl cyanide
  • p-bromobenzyl allyl sulfone
  • 1-bromo-4-(iodomethyl)benzene
  • Tetrabutylammonium cyanide
  • 1-bromo-4-((methoxymethoxy)methyl)benzene
  • 4-Bromobenzyl alcohol

DownStream

  • 3,4-bis(4-bromophenyl)pyrrole-2,5-dione
  • tert-Butyl (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutyl)carbamate
  • Methyl 4-(2-methoxy-2-oxoethyl)benzoate
  • Methyl 2-(4-bromophenyl)acetate
  • Methyl 4-(cyanomethyl)benzoate
  • 2-(4-Bromophenyl)ethanol
  • (4-bromophenyl)(cyclohexyl)methanone
  • sodium,(6R,7R)-7-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 2-(4-bromophenyl)ethanethioamide
  • sodium,(6R,7R)-3-(acetyloxymethyl)-7-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

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%

Articles

Readily synthesised arylamino fumaronitrile for non-doped red organic light-emitting diodes.

Chem. Commun. (Camb.) (20) , 2632-3, (2003)

Bright (maximum 10034 cd m(-2), 455 cd m(-2) at 20 mA cm(-2)) and efficient (maximum 2.4% at 4 mA cm(-2)) red (lambda(max)el 634-636 nm) organic light-emitting diodes employ arylamino-substituted fuma...

A mild and efficient method for the reduction of nitriles. Laval S, et al.

Tetrahedron Lett. 50(50) , 7005-7007, (2009)

Polymeric light emitting properties and structural relationships of fluorene-based conjugated copolymers containing various hole transporting derivatives. Park JH, et al.

Org. Electron. 8(2) , 272-285, (2007)


More Articles

Related Compounds

  • 2,6-difluoro-4-bromobenzyl cyanide
  • (4-Bromobenzyl)(triphenyl)phosphonium bromide
  • (4-bromobenzyl)(phenyl)selane
  • (4-Bromobenzyl)hydrazine sulfate
  • 4-bromobenzyl 4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
  • ((4-bromobenzyl)oxy)acetic acid
  • (5-(3-Chloro-4-methylphenyl)furan-2-yl)(piperidin-1-yl)methanethione
  • (4-(3-Chloro-4-methylphenyl)piperazin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione
  • (4-Methylpiperidin-1-yl)(5-(3-nitrophenyl)furan-2-yl)methanethione
  • (4-Benzylpiperazin-1-yl)(5-(2-nitrophenyl)furan-2-yl)methanethione
  • (4-(3-Chloro-4-methylphenyl)piperazin-1-yl)(5-(2-nitrophenyl)furan-2-yl)methanethione
  • (4-Methylpiperidin-1-yl)(5-(2-nitrophenyl)furan-2-yl)methanethione
  • (4-Benzylpiperazin-1-yl)(5-(4-bromophenyl)furan-2-yl)methanethione
  • (5-(4-Bromophenyl)furan-2-yl)(4-(4-fluorophenyl)piperazin-1-yl)methanethione
  • (5-(4-Bromophenyl)furan-2-yl)(4-methylpiperidin-1-yl)methanethione
  • 1-Benzyl-4-[5-(4-fluorophenyl)furan-2-carbothioyl]piperazine
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