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2346-00-1

Basic Information
CAS No.: 2346-00-1
Name: 2-Methyl-2-thiazoline
Article Data: 27
Molecular Structure:
Molecular Structure of 2346-00-1 (2-Methyl-2-thiazoline)
Formula: C4H7NS
Molecular Weight: 101.172
Synonyms: 2-Thiazoline,2-methyl- (6CI,7CI,8CI);2-Methyl-D2-thiazoline;2-Methylthiazoline;
EINECS: 219-071-6
Density: 1.175 g/cm3
Melting Point: -101.0 °C(lit.)
Boiling Point: 144.999 °C at 760 mmHg
Flash Point: 37.222 °C
Appearance: colorless to orange-yellow liquid
Hazard Symbols: R10:;
Risk Codes: 10
Safety: 16
Transport Information: UN 1993 3/PG 3
PSA: 37.66000
LogP: 0.58720
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Chemistry

Molecular Structure of 4,5-Dihydro-2-methylthiazole (CAS NO.2346-00-1):

IUPAC Name: 2-Methyl-4,5-dihydro-1,3-thiazole 
Molecular Formula: C4H7NS
Molecular Weight: 101.17
EINECS: 219-071-6
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 1 
storage temp.: 2-8 °C
Melting Point: -101.0 °C(lit.)
Index of Refraction: 1.591
Molar Refractivity: 29.1 cm3
Molar Volume: 86.1 cm3
Surface Tension: 39.3 dyne/cm
Density: 1.17 g/cm3
Flash Point: 37.2 °C
Enthalpy of Vaporization: 36.63 kJ/mol
Boiling Point: 145 °C at 760 mmHg
Vapour Pressure: 6.25 mmHg at 25 °C
Appearance: colorless to orange-yellow liquid
Classification Code: Drug / Therapeutic Agent  
Canonical SMILES: CC1=NCCS1
InChI: InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3
InChIKey: JUIQOABNSLTJSW-UHFFFAOYSA-N
Product Categories: Heterocyclic Compounds; thiazole Flavor; Alphabetical Listings; Flavors and Fragrances; M-N; Building Blocks; Heterocyclic Building Blocks; Thiazolines / Thiazolidines

Uses

 4,5-Dihydro-2-methylthiazole (CAS NO.2346-00-1) is used as a sensitizing material intermediates, pharmaceutical intermediates.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 16, 1985.
mouse LD50 oral 3300mg/kg (3300mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(1), Pg. 55, 1980.
rat LDLo oral 480mg/kg (480mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(1), Pg. 55, 1980.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
Safety Information of 4,5-Dihydro-2-methylthiazole (CAS NO.2346-00-1):
Risk Statements: 10 
R10:Flammable.
Safety Statements: 16 
S16:Keep away from sources of ignition.
RIDADR: UN 1993 3/PG 3
WGK Germany: 2
RTECS: XJ4261470
F: 8-10-23
HazardClass: 3
PackingGroup: III

Specification

 4,5-Dihydro-2-methylthiazole (CAS NO.2346-00-1), its Synonyms are 2-Methyl-2-thiazoline ; 2-Thiazoline, 2-methyl- ; Methyl-2 delta-2 thiazoline ; Methyl-2-thiazoline ; Thiazole, 4,5-dihydro-2-methyl- ; 2-Methylthiazoline .

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