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2295-31-0 structure

2,4-Thiazolidinedione

Iupac Name:1,3-thiazolidine-2,4-dione
CAS No.:2295-31-0
EINECS(EC#): 218-941-2
Molecular Weight:117.12642
Molecular Formula:C3H3NO2S (isomer)
1. Names and Identifiers
1.1 Synonyms

1,3-Thiazolane-2,4-dione 1,3-thiazole-2,4-dione 1,3-Thiazolidine-2,4-dione 1,3-Thiazolidine-2,4-dione # 138976-EP2272849A1 138976-EP2292586A2 18523-EP2270011A1 18523-EP2272825A2 18523-EP2298776A1 18523-EP2301533A1 18523-EP2305648A1 18523-EP2305673A1 18523-EP2311834A1 18523-EP2314295A1 18523-EP2314576A1 2, 4-Thiazolidinedione 2,4 thiazolidinedione 2,4(3H,5H)-Thiazoledione 2,4-Dioxothiazolidine 2,4-thiazolidindione 2,4-thiazolidine dione 2,4thiazolidinedione 2,4-THIAZOLIDINEDIONE 2,4-Thiazolidinedione, 99% 2,4-Thiazolidinedione, technical grade, 90% 2,5H)-Thiazoledione 2295-31-0 4-27-00-03144 (Beilstein Handbook Reference) 56555-EP2295422A2 56555-EP2298769A1 56555-EP2308878A2 95T310 9UT A4870 AA68LXK93C AB1003653 AC1L1KCQ AC-3453 ACMC-1ANE1 ACT04253 AI3-61185 AJ-57624 AK-46286 AKOS000119892 AKOS025397012 AM20090236 AN-12964 ANW-25003 ARONIS23865 AS-15441 B-8025 BB 0255316 BBL016395 BCP26341 BR-46286 BRD-K70526448-001-02-0 BRN 0110700 C3H3NO2S CHEBI:50992 CHEMBL85398 CJ-13233 CS-W019917 CTK1A3731 DB11898 DTXSID5040623 EINECS 218-941-2 F1028-0003 FT-0610238 GW3478456 I14-0019 J-610067 Jsp004632 KS-00000NWB KS-000046I0 KSC203O3D LS-151284 MCULE-8206580994 MFCD00005478 MFCD00005478 (98%) NS00027309 NSC 6745 NSC6745 NSC-6745 P352 PubChem17487 Q1393556 RL02719 RP19263 RTR-010737 SBB000047 SC-17499 SCHEMBL5043 SCHEMBL8158011 SR-01000945204 SR-01000945204-1 ST025225 ST2409135 STK159523 SY001546 thiazolidin-2,4-dione Thiazolidindione thiazolidine-2,4 dione thiazolidine-2,4-dione Thiazolidinedione thiazolidine-dione Thiazolidinedione-2,4 TR-010737 TRA0065675 TZD UNII-AA68LXK93C Usaf ek-5496 W-107446 WLN: T5SVMV EHJ Z57131032 ZINC8554292 ZOBPZXTWZATXDG-UHFFFAOYSA-N

1.2 Inchi
InChI=1/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
1.3 InChkey
ZOBPZXTWZATXDG-UHFFFAOYSA-N
1.4 Canonical Smiles
C1C(=O)NC(=O)S1
1.5 Isomers Smiles
C1C(=O)NC(=O)S1
2. 3D Conformer
3. Properties
3.1 Appearance
White to Off-White Powder
3.2 Density
1.516
3.3 Melting Point
123-126℃
3.4 Boiling Point
178-179℃ (19 mmHg)
3.5 Vapour
0.000809mmHg at 25°C
3.6 Refractive Index
1.577
3.7 Flash Point
138.7 °C
3.8 Solubility
Very soluble
3.9 Stability
Stable under normal temperatures and pressures.
3.9 Stability
3.10 HS Code
29341000
3.11 Storage temp
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
4. Safety and Handling
4.1 Hazard Codes
Xi
4.2 Risk Statements
R36/37/38
4.3 Safety Statements
S24/25
4.4 Safety

Poison by intraperitoneal and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx and SOx.
Hazard Codes:?IrritantXi
Risk Statements: 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26?
S24/25:Avoid contact with skin and eyes.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36:Wear suitable protective clothing.

4.5 Toxicity
1. ???

ipr-mus LD50:400?mg/kg

??? NTIS** ?? National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
2. ???

scu-mus LD50:335?mg/kg

??? FRPSAX ?? Farmaco, Edizione Scientifica. 9 (1954),274.

?2,4-Thiazolidinedione (CAS NO.2295-31-0) hasn't been listed as a carcinogen by NTP, IARC, ACGIH, or CA Prop 65. You can see actual entry in RTECS for complete information.

4.6 Transport
25kgs
4.7 Specification

?2,4-Thiazolidinedione , its cas register number is 2295-31-0. It also can be called Thiazolidine-2,4-dione ; and Thiazolidinedione . It is hazardous, so the first aid measures and others should be known. Such as: When on the skin: should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. ?While, it's inhaled: Remove from exposure and move to fresh air immediately. Then you have the ingesting of the product: Wash mouth out with water, and get medical aid immediately.
In addition, 2,4-Thiazolidinedione (CAS NO.2295-31-0) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, and you must not take it with incompatible materials, strong oxidants. And also prevent it to broken down into hazardous decomposition products:?nitrogen oxides, carbon monoxide, oxides of sulfur, irritating and toxic fumes and gases, carbon dioxide, nitrogen.

4.8 Report

Reported in EPA TSCA Inventory.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

9. Computational chemical data
  • Molecular Weight:117.12642g/mol
  • Molecular Formula:C3H3NO2S
  • Exact Mass:116.988449
  • Monoisotopic Mass:116.988449
  • Complexity:122
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:71.5
  • Heavy Atom Count:7
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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