化学百科 / Pharmaceutical Intermediates / Organic Intermediate

チエノ[2,3-c]フラン-4,6-ジオン

CAS：6007-83-6
MW:154.14
MF：C6H2O3S

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名前と識別子
性質
MSDS情報
NMR スペクトル
計算化学データ
実際の製品情報

1. 名前と識別子

1.1 商品名: チエノ[2,3-c]フラン-4,6-ジオン

1.2 同義語: チエノ[2,3-c]フラン-4,6-ジオン; 2,3-チオフェンジカルボン酸無水物

1.3 CAS No.: 6007-83-6

1.4 CID: 222951

1.5 分子式: C6H2O3S

1.6 Inchi: FIDKFEIEZJGDBE-UHFFFAOYSA-N

1.7 InchiKey: FIDKFEIEZJGDBE-UHFFFAOYSA-N

1.8 標準的な SMILES: O=C1OC(=O)C2=C1SC=C2

1.9 異性体 SMILES: O=C1OC(=O)C2=C1SC=C2

2. 性質

2.1 融点: 140.0から144.0°C

3. MSDS情報

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H315 Causes skin irritation H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P302+P352 IF ON SKIN: Wash with plenty of water/... P321 Specific treatment (see ... on this label). P332+P313 If skin irritation occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

すべてを表示

4. NMR スペクトル

13C NMR : Predict

1H NMR : Predict

5. 合成路線

6007-83-6Total: 2 合成路線

1451-95-2 7 しいれ業者

6007-83-6 9 しいれ業者

1451-95-2 7 しいれ業者

108-24-7

6007-83-6 9 しいれ業者

6. 前駆体と製品

上位製品:

1451-95-2

下流製品:

825-55-8

14315-11-8

32281-36-0

25796-77-4

14315-14-1

95-15-8

14315-15-2

2404-87-7

115777-72-5

16587-47-6

30006-03-2

7. 計算化学データ

Molecular Weight：154.14g/mol
Molecular Formula：C₆H₂O₃S
Compound Is Canonicalized：True
Exact Mass：1.3
XLogP3-AA：153.97246510
Monoisotopic Mass：153.97246510
Complexity：201
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：71.6
Heavy Atom Count：：10
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
CACTVS Substructure Key Fingerprint：AAADcQBgMABAAAAAAAAAAAAAAAAAASJAAAAAAAAAAAASAAABgAAAGgQAAAAADACE2ACwCYAABAiMAiDSCAADAIAkCBBIiBkACMgIJjKgNBiCEQAkwAEoqYaLAAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==