Isothiocyanic acid, (p-cetoxyphenyl) ester

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Names

[ CAS No. ]:
6637-40-7

[ Name ]:
Isothiocyanic acid, (p-cetoxyphenyl) ester

[Synonym ]:
ISOTHIOCYANIC ACID,(p-CETOXYPHENYL) ESTER
4-Hexadecyloxy-phenylisocyanat
4-hexadecyloxy-phenyl isocyanate
p-Cetoxyphenylisothiocyanate
WLN: SCNR DO16
Benzene,1-(hexadecyloxy)-4-isothiocyanato

Chemical & Physical Properties

[ Density]:
0.95g/cm3

[ Boiling Point ]:
484.3ºC at 760 mmHg

[ Molecular Formula ]:
C23H37NOS

[ Molecular Weight ]:
375.61100

[ Flash Point ]:
246.7ºC

[ Exact Mass ]:
375.26000

[ PSA ]:
53.68000

[ LogP ]:
8.28100

[ Index of Refraction ]:
1.509

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8450000
CHEMICAL NAME :
Isothiocyanic acid, (p-cetoxyphenyl) ester
CAS REGISTRY NUMBER :
6637-40-7
BEILSTEIN REFERENCE NO. :
3425268
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H37-N-O-S
MOLECULAR WEIGHT :
375.67
WISWESSER LINE NOTATION :
SCNR DO16

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 :
150 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: AD691-490

Safety Information

[ HS Code ]:
2930909090

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

  • Isothiocyanic acid, p-(chloroacetyl)phenyl ester (7CI)
  • Isothiocyanic acid, p-[bis (2-chloroethyl)amino]phenyl ester
  • 4-Iodobenzyl isothiocyanate
  • Benzene,1-(dodecyloxy)-4-isothiocyanato-
  • Benzenamine,4-[2-(4-isothiocyanatophenyl)ethenyl]-N,N-dimethyl-
  • Benzenesulfonamide,4-isothiocyanato-N-2-pyrimidinyl-
  • (3aR,6aS)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a,4,6a-tetrahydro-1H-pentalen-2-one
  • Tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-6-azaspiro[3.4]oct-1-ene-6-carboxylate
  • (S)-3-Amino-2,2-difluoro-4-methylpentan-1-OL
  • 2',3'-Dihydrospiro[cyclobutane-1,1'-isoindole] hydrochloride
  • Tert-butyl 3-amino-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate
  • 2-Azabicyclo[4.1.0]heptane-5-carbonitrile hydrochloride
  • 5,7-DI-Tert-butyl-3-(2-methoxyphenyl)benzo[D]oxazol-3-ium tetrafluoroborate
  • 3-{[(Tert-butoxy)carbonyl]amino}-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylic acid
  • Tert-butyl 2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetate
  • 5-(2-Aminoethyl)-3-butyl-1,3-oxazolidin-2-one
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