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-
  • 5-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-(methoxymethyl)butanamido]hexanoic acid
  • 2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methylpropanamido]-3-methoxy-2-methylpropanoic acid
  • 3-[6-(Piperazin-1-yl)pyrimidin-4-yl]prop-2-ynoic acid
  • 2-({1-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoyl]-3-methylazetidin-3-yl}oxy)acetic acid
  • (2R)-2-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]-4-hydroxybutanoic acid
  • (2S)-2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylpropanamido]pentanoic acid
  • 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[(2-propylcyclopropyl)carbamoyl]propanoic acid
  • 1-{2-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutyl]acetamido}cyclopropane-1-carboxylic acid
  • 2-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-methyl-N-(prop-2-yn-1-yl)butanamido]acetic acid
  • 4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-[(1H-pyrrol-1-yl)carbamoyl]butanoic acid
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