基本情報
- CAS
52253-69-7- 標準SMILES
Br.Nc1nc(-c2ccccc2)cs1.O- InChIKey
SBVYKOGRUCDICV-UHFFFAOYSA-N- 分子式
- C9H8N2S.BrH.H2O
- 平均分子量
- 275.17 g/mol
- 単同位体質量
- 273.97755
概要
2-amino-4-phenylthiazole hydrobromide monohydrate is a white powder. (NTP, 1992)
名称と識別子
- 優先名称
- 2-Amino-4-phenylthiazole hydrobromide monohydrate
- IUPAC
- 4-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromide
- 現地名
- 2-アミノ-4-フェニルチアゾール臭化水素酸塩一水和物
- 英語名
- 2-Amino-4-phenylthiazole hydrobromide monohydrate
- 分子式
- C9H11BrN2OS
- 分子量
- 275.17
名称と別名
2-Amino-4-phenylthiazole hydrobromide monohydrateRefChem:46437152253-69-74-Phenylthiazol-2-amine hydrobromide hydrate2-Amino-4-Phenylthiazole Hbr H2o2-Thiazolamine, 4-phenyl-, monohydrobromide, monohydrate4-phenyl-1,3-thiazol-2-amine;hydrate;hydrobromideDTXSID0024503MFCD001500832-Amino-4-phenylthiazole hydrobromide hydrate4-phenyl-1,3-thiazol-2-amine hydrate hydrobromideDTXCID604503
名称をさらに表示
2-アミノ-4-フェニルチアゾール臭化水素酸塩一水和物2-アミノ-4-フェニルチアゾール 臭化水素酸塩 一水和物2-アミノ-4-フェニルチアゾール・臭化水素酸塩・水和物4-フェニル-2-チアゾールアミン・臭化水素酸塩・水和物2-AMINO-4-PHENYLTHIAZOLE HYDROBROMIDE 1-HYDRATE4-phenylthiazol-2-ylamine hydrobromide monohydrate2-Amino-4-phenylthiazole monohydrate hydrobromide2-Amino-4-phenylthiazole hydrobromide monohydrate 99%2-Amino-4-phenylthiazole hydrobromide monohydrate,99%
SCHEMBL5325472CHEMBL1570415SBVYKOGRUCDICV-UHFFFAOYSA-NTox21_200171AKOS024318955NCGC00091948-01NCGC00091948-02NCGC00091948-03
物性
構造計算による物性
- 極性表面積
- 68.2 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 4
- 回転可能結合数
- 1
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 145
実験および物理化学的性質
Solubilityless than 1 mg/mL at 72 °F (NTP, 1992)
Melting Point354 to 358 °F (NTP, 1992)
Physical Description2-amino-4-phenylthiazole hydrobromide monohydrate is a white powder. (NTP, 1992)
物理化学的性質
- 融点
- 180 · 180-183 °C(lit.)
- 外見
- powder
- InChI
- 1S/C9H8N2S.BrH.H2O/c10-9-11-8(6-12-9)7-4-2-1-3-5-7;;/h1-6H,(H2,10,11);1H;1H2
- InChIKey
- SBVYKOGRUCDICV-UHFFFAOYSA-N
- SMILES
- Br[H].[H]O[H].Nc1nc(cs1)-c2ccccc2
- EPAの化学物質情報
- 2 · 2-Amino-4-phenylthiazole hydrobromide monohydrate (52253-69-7)
化学的性質
化学的特性white to beige crystalline powder
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
Acidic salt of an amine. Materials in this group have variable solubility in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全と保護具
Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
化学と産業
応用分野
一般的な説明White powder.
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