Thiocyanic acid, (4-chlorophenyl)methyl ester

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Names

[ CAS No. ]:
2082-64-6

[ Name ]:
Thiocyanic acid, (4-chlorophenyl)methyl ester

[Synonym ]:
Thiocyanic acid,4-chlorobenzyl ester
4-Chlor-benzylthiocyanat
4-ClC6H4CH2SCN
p-chlorobenzyl thiocyanate
1-chloro-4-thiocyanatomethyl-benzene

Chemical & Physical Properties

[ Density]:
1.297g/cm3

[ Boiling Point ]:
291.3ºC at 760 mmHg

[ Molecular Formula ]:
C8H6ClNS

[ Molecular Weight ]:
183.65800

[ Flash Point ]:
130ºC

[ Exact Mass ]:
182.99100

[ PSA ]:
49.09000

[ LogP ]:
3.05428

[ Vapour Pressure ]:
0.00196mmHg at 25°C

[ Index of Refraction ]:
1.602

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK8562000
CHEMICAL NAME :
Thiocyanic acid, 4-chlorobenzyl ester
CAS REGISTRY NUMBER :
2082-64-6
BEILSTEIN REFERENCE NO. :
2209283
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H6-Cl-N-S
MOLECULAR WEIGHT :
183.66
WISWESSER LINE NOTATION :
NCS1R DG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 21,121,1971

Safety Information

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • p-chlorobenzylalcohol
  • [(p-Chlorobenzyl)Oxy] Trimethylsilane
  • p-(Cl)C6H4CH2OTHP
  • Potassium thiocyanate
  • 4-Chlorobenzyl bromide
  • 1-(4-chlorobenzyl)-2-(methylthio)-4,6-diphenylpyridin-1-ium thiocyanate
  • 1-(4-chlorobenzyl)-2-(methylthio)-4,6-diphenylpyridin-1-ium iodide
  • 4-Chlorobenzaldehyde

DownStream

  • Benzene,1-chloro-4-(isothiocyanatomethyl)-
  • bis-(p-Chlorobenzyl)disulfide

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Related Compounds

  • Butanoic acid,(4-chlorophenyl)methyl ester
  • Hexanoic acid,(4-chlorophenyl)methyl ester
  • Carbonotrithioic acid, 4-chlorophenyl methyl ester
  • (4-chlorophenyl) methyl sulfate
  • (4-chlorophenyl)methyl quinoline-8-carboxylate
  • (4-chlorophenyl)methyl carbonochloridate
  • [1-(Octahydroindolizin-2-yl)pyrrolidin-3-yl]methanol
  • N-(3-methoxypropyl)-octahydroindolizin-2-amine
  • Methyl 2-[(octahydroindolizin-2-yl)amino]acetate
  • 1-Oxa-7-thia-2-azaspiro[4.4]non-2-ene-3-carboxylic acid
  • 7-Methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
  • 7,7,9,9-Tetramethyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
  • 1,9,12-Trioxa-2-azadispiro[4.2.4^{8}.2^{5}]tetradec-2-ene-3-carboxylic acid
  • 7,7,9,9-Tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
  • 8-(Propan-2-yl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
  • 1,7-Dioxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
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