Cyclohexyl Isothiocyanate
Names
[ CAS No. ]:
1122-82-3
[ Name ]:
Cyclohexyl Isothiocyanate
[Synonym ]:
isothiocyanatocyclohexane
Isothiocyanic Acid Cyclohexyl Ester
CYCLOHEXYL ISOTHIOCYANATE
MFCD00003841
EINECS 214-361-9
Chemical & Physical Properties
[ Density]:
1.033
[ Boiling Point ]:
219 °C
[ Melting Point ]:
85 °C
[ Molecular Formula ]:
C7H11NS
[ Molecular Weight ]:
141.23400
[ Flash Point ]:
95 °C
[ Exact Mass ]:
141.06100
[ PSA ]:
44.45000
[ LogP ]:
2.42190
[ Vapour Pressure ]:
0.18mmHg at 25°C
[ Index of Refraction ]:
1.536-1.538
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX8480000
- CHEMICAL NAME :
- Isothiocyanic acid, cyclohexyl ester
- CAS REGISTRY NUMBER :
- 1122-82-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H11-N-S
- MOLECULAR WEIGHT :
- 141.25
- WISWESSER LINE NOTATION :
- L6TJ ANCS
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 300 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
Safety Information
[ Symbol ]:
GHS05, GHS08
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H314-H317-H334
[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P310
[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn:Harmful;
[ Risk Phrases ]:
R20/21/22;R36/37/38
[ Safety Phrases ]:
S45-S36/37/39-S26-S39-S23
[ RIDADR ]:
2922
[ WGK Germany ]:
3.0
[ RTECS ]:
NX8480000
[ Packaging Group ]:
III
[ Hazard Class ]:
8
[ 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%
Articles
Am. J. Trop. Med. Hyg. 91(4) , 824-32, (2014)
Because of emerging resistance to existing drugs, new chemical classes of antimalarial drugs are urgently needed. We have rationally designed a library of compounds that were predicted to accumulate i...