CAS 13287-49-5|4-nitrobenzyl thiocyanate

Introduction:Basic information about CAS 13287-49-5|4-nitrobenzyl thiocyanate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name4-nitrobenzyl thiocyanate
CAS Number13287-49-5Molecular Weight194.21000
Density1.373g/cm3Boiling Point367.9ºC at 760mmHg
Molecular FormulaC8H6N2O2SMelting Point83-85ºC
MSDS/Flash Point176.3ºC

Names

Name(4-nitrophenyl)methyl thiocyanate
SynonymMore Synonyms

Chemical & Physical Properties

Density1.373g/cm3
Boiling Point367.9ºC at 760mmHg
Melting Point83-85ºC
Molecular FormulaC8H6N2O2S
Molecular Weight194.21000
Flash Point176.3ºC
Exact Mass194.01500
PSA94.91000
LogP2.83228
Vapour Pressure1.33E-05mmHg at 25°C
Index of Refraction1.628
InChIKeyNUMYTLIHYKESKM-UHFFFAOYSA-N
SMILESN#CSCc1ccc([N+](=O)[O-])cc1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XL1615000
CHEMICAL NAME :
Thiocyanic acid, (p-nitrobenzyl) ester
CAS REGISTRY NUMBER :
13287-49-5
LAST UPDATED :
198706
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C8-H6-N2-O2-S
MOLECULAR WEIGHT :
194.22
WISWESSER LINE NOTATION :
WNR D1SCN

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 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 :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
19 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year: 2,95,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04706

Safety Information

Risk PhrasesR20/22;R32
Safety PhrasesS22-S36/37
RIDADRUN 2811
HS Code2930909090

Customs

HS Code2930909090
Summary2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Synonyms

EINECS 236-299-1
4-Nitrobenzyl thiocyanate
p-Nitrobenzylthiocyanate
Thiocyanic acid,4-nitrobenzyl ester
MFCD00024784
4-Nitro-benzylthiocyanat
p-NO2-PhCH2SCN
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