4,5-ジメチルチアゾール
4,5-Dimethylthiazole
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基本情報
- CAS
3581-91-7- 標準SMILES
Cc1ncsc1C- InChIKey
UWSONZCNXUSTKW-UHFFFAOYSA-N- 分子式
- C5H7NS
- 平均分子量
- 113.18 g/mol
- 単同位体質量
- 113.02992022
概要
4,5-Dimethylthiazole is a member of thiazoles.
名称と識別子
- 優先名称
- 4,5-Dimethylthiazole
- IUPAC
- 4,5-dimethyl-1,3-thiazole
- 現地名
- 4,5-ジメチルチアゾール
- 英語名
- 4,5-Dimethylthiazole
- 分子式
- C5H7NS
- 分子量
- 113.18
名称と別名
4,5-DIMETHYLTHIAZOLE3581-91-74,5-Dimethyl-1,3-thiazoleThiazole, 4,5-dimethyl-4,5-dimethyl thiazoleFEMA No. 3274EINECS 222-703-3BRN 0105694U3RP5I088GDTXSID401893484-27-00-00986 (Beilstein Handbook Reference)4,5-DIMETHYL THIAZOLE [FHFI]
名称をさらに表示
4,5-ジメチルチアゾール4,5-ジメチルチアゾ-ル4,5-ジメチルチアゾール, 98%4,5-ジメチル-1,3-チアゾールFEMA 3274FEMA NUMBER 32744,5-dimethyl-thiazol4,5-Dimethylthiazole>4,5-Dimethylthiazole,98%4,5-Dimethylthiazole100g4,5-Dimethylthiazole ,99%
RefChem:507854DTXCID70111839222-703-34,5-dimethyl-thiazoleMFCD000053362,2-DimethylthiazoleSCHEMBL532644,5-Dimethylthiazole, 97%
データベース識別子
- CAS
3581-91-7- PubChem CID
- 62510
- DTXSID
DTXSID40189348- ChEBI
CHEBI:193947- UNII
- U3RP5I088G
- EC Number
- 222-703-3
- Nikkaji
- J45.577F
物性
構造計算による物性補完中
- XLogP
- 1.8
- 極性表面積
- 41.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 65.1
実験および物理化学的性質
SpringerMaterials PropertiesDiamagnetic susceptibility
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.067-1.072
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in ether
Miscible at room temperature (in ethanol)
Boiling Point
157.00 to 159.00 °C. @ 760.00 mm Hg
158 °C (742 mm Hg)
Melting Point83 - 84 °C
Refractive Index1.516-1.524
Physical Description
Solid
Clear colourless liquid; roasted, nutty, meaty, boiled poultry-like odour
物理化学的性質
- 融点
- 83 · 83-84 C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1451 reports by companies from 14 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Thiazole, 4,5-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 4,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (98.1%)
安全データ
- wgk
- 3
- rtecs
- XJ4380000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29349990
- risk_code
- 10-22-37/38-41-36/37/38
- 消防法
- 危-4-2-III
- hazard_code
- Xn,Xi,F
- safety_code
- 16-26-39-37/39-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Irrit. 2STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
応用分野
用途有機合成原料。
天然物の起源Reported found in peanuts, toasted oats, malt, peach, pork, coffee, krill, shrimp and scallops
使用4,5-Dimethylthiazole was used in the preparation of 4-(bromomethyl)-5-(dibromomethyl)thiazole.
一般的な説明4,5-Dimethylthiazole is a thiazoles compounds that containing a thiazole ring substituted at positions 4 and 5 only. Radical bromination of 4,5-dimethylthiazole using N-bromosuccinimide in the presence of 2,2′-azobisisobutyronitrile yields mono-, tri- and tetrabromo compounds.
調製方法
製造方法From methyl-α-bromoethyl ketone; by oxidation of 2-mercaptothiazoles with hydrogen peroxide in aqueous solution; from 2-mercapto-4,5-dimethylthiazole.
上流・下流製品情報
上流原料
下流製品
関連反応
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