2-(4-Chlorophenyl)-2-cyanoacetaldehyde

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Names

[ CAS No. ]:
62538-21-0

[ Name ]:
2-(4-Chlorophenyl)-2-cyanoacetaldehyde

[Synonym ]:
2-(4-chlorophenyl)-3-oxopropanenitrile

Chemical & Physical Properties

[ Density]:
1.263 g/cm3

[ Boiling Point ]:
283.8ºC at 760 mmHg

[ Melting Point ]:
157ºC

[ Molecular Formula ]:
C9H6ClNO

[ Molecular Weight ]:
179.60300

[ Flash Point ]:
125.4ºC

[ Exact Mass ]:
179.01400

[ PSA ]:
40.86000

[ LogP ]:
2.14608

[ Index of Refraction ]:
1.552

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AL8310000
CHEMICAL NAME :
Acetonitrile, 2-(p-chlorophenyl)-2-formyl-
CAS REGISTRY NUMBER :
62538-21-0
BEILSTEIN REFERENCE NO. :
0743641
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H6-Cl-N-O
MOLECULAR WEIGHT :
179.61
WISWESSER LINE NOTATION :
VHYCN&R DG

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 :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

Safety Information

[ Hazard Codes ]:
Xn: Harmful;

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

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

[ RIDADR ]:
UN 3276

[ HS Code ]:
2926909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl formate
  • 4-Chlorobenzyl cyanide

DownStream

  • 2-(4-Chlorophenyl)-3-(dimethylamino)acrylonitrile
  • 4-(4-Chlorophenyl)-1H-pyrazol-5-amine

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

  • 2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethanol
  • 2-(4-Chlorophenyl)-2-methyl-1,3-oxathiolane-5-methanol carbamate
  • 2-(4-chlorophenyl)-2,5-diphenyl-1,3,2-thiazagermolidine
  • 2-(4-chlorophenyl)-2,5-diphenyl-1,3,2-thiazasilolidine
  • 2-(4-chlorophenyl)-2-[[(4-chlorophenyl)-cyano-methylidene]hydrazinylidene]acetonitrile
  • 2-(4-Chlorophenyl)-2-(pyridin-2-yl)acetonitrile
  • 3-Methyl-5-(2-methyloxiran-2-yl)-1,2-oxazole
  • Methyl 3-(5-bromo-1,3-thiazol-2-yl)-3-oxopropanoate
  • 3-{[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methyloxolan-3-yl]formamido}propanoic acid
  • 1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-5-oxopiperidine-3-carboxylic acid
  • Tert-butyl 3-{2-[3-(aminomethyl)-2,2-dimethylcyclopropyl]ethyl}piperidine-1-carboxylate
  • 2-[2-(1,2-thiazol-5-yl)ethyl]-2H-1,2,3-triazol-4-amine
  • 2-[(3-ethyl-1-methyl-1H-pyrazol-5-yl)methyl]-2H-1,2,3-triazol-4-amine
  • tert-butyl N-[3-amino-2-methyl-2-(5-nitrofuran-2-yl)propyl]carbamate
  • 2-({hexahydrofuro[2,3-c]furan-2-yl}methyl)-2H-1,2,3-triazol-4-amine
  • 2-(4,4-difluoropentyl)-2H-1,2,3-triazol-4-amine
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