4-nitrobenzyl thiocyanate
Names
[ CAS No. ]:
13287-49-5
[ Name ]:
4-nitrobenzyl thiocyanate
[Synonym ]:
EINECS 236-299-1
4-Nitrobenzyl thiocyanate
p-Nitrobenzylthiocyanate
Thiocyanic acid,4-nitrobenzyl ester
MFCD00024784
4-Nitro-benzylthiocyanat
p-NO2-PhCH2SCN
Chemical & Physical Properties
[ Density]:
1.373g/cm3
[ Boiling Point ]:
367.9ºC at 760mmHg
[ Melting Point ]:
83-85ºC
[ Molecular Formula ]:
C8H6N2O2S
[ Molecular Weight ]:
194.21000
[ Flash Point ]:
176.3ºC
[ Exact Mass ]:
194.01500
[ PSA ]:
94.91000
[ LogP ]:
2.83228
[ Vapour Pressure ]:
1.33E-05mmHg at 25°C
[ Index of Refraction ]:
1.628
MSDS
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 Phrases ]:
R20/22;R32
[ Safety Phrases ]:
S22-S36/37
[ RIDADR ]:
UN 2811
[ HS Code ]:
2930909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%