Isothiocyanic acid, (p-cetoxyphenyl) ester

Modify Date: 2025-08-30 11:00:52

Isothiocyanic acid, (p-cetoxyphenyl) ester Structure
Isothiocyanic acid, (p-cetoxyphenyl) ester structure
Common Name Isothiocyanic acid, (p-cetoxyphenyl) ester
CAS Number 6637-40-7 Molecular Weight 375.61100
Density 0.95g/cm3 Boiling Point 484.3ºC at 760 mmHg
Molecular Formula C23H37NOS Melting Point N/A
MSDS N/A Flash Point 246.7ºC

 Names

Name 1-hexadecoxy-4-isothiocyanatobenzene
Synonym More Synonyms

 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
InChIKey QZYKAALLMYWYRA-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCCCCCOc1ccc(N=C=S)cc1

 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%

 Synonyms

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