Introduction:Basic information about CAS 1195-16-0|Citiolone, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Citiolone is a derivative of the amino acid cysteine, used in liver therapy.
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Chemical & Physical Properties
Density
1.263 g/cm3
Boiling Point
427.265ºC at 760 mmHg
Melting Point
109-111ºC
Molecular Formula
C6H9NO2S
Molecular Weight
159.20600
Flash Point
212.202ºC
Exact Mass
159.03500
PSA
71.47000
LogP
0.54550
InChIKey
NRFJZTXWLKPZAV-UHFFFAOYSA-N
SMILES
CC(=O)NC1CCSC1=O
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
AC8680000
CHEMICAL NAME :
Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-
CAS REGISTRY NUMBER :
1195-16-0
BEILSTEIN REFERENCE NO. :
0004338
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C6-H9-N-O2-S
MOLECULAR WEIGHT :
159.22
WISWESSER LINE NOTATION :
T5SVTJ CMV1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1950 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year: 11,362,1989
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1200 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: 8,72,1958 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6028 No. of Facilities: 25 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 2440 (estimated) No. of Female Employees: 1459 (estimated)
Safety Information
Symbol
GHS06
Signal Word
Danger
Hazard Statements
H301
Precautionary Statements
P301 + P310
Personal Protective Equipment
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
Hazard Codes
T,Xi
Risk Phrases
R25
Safety Phrases
22-24/25-45-36-26
RIDADR
UN 2811 6.1/PG 3
WGK Germany
3
RTECS
AC8680000
HS Code
2934999090
Customs
HS Code
2934999090
Summary
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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