3-アミノ-5-メチルイソオキサゾール

3-Amino-5-methylisoxazole

HCID 66172
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基本情報

CAS
1072-67-9
標準SMILES
Cc1cc(N)no1
InChIKey
FKPXGNGUVSHWQQ-UHFFFAOYSA-N
分子式
C4H6N2O
平均分子量
98.1 g/mol
単同位体質量
98.04801281

名称と識別子

優先名称
3-Amino-5-methylisoxazole
IUPAC
5-methyl-1,2-oxazol-3-amine
現地名
3-アミノ-5-メチルイソオキサゾール
英語名
3-Amino-5-methylisoxazole
分子式
C4H6N2O
分子量
98.1

名称と別名

3-Amino-5-methylisoxazole1072-67-95-Methyl-3-isoxazolamine3-Isoxazolamine, 5-methyl-5-Methyl-3-aminoisoxazoleIsoxazole, 3-amino-5-methyl-DTXSID9021631G54MJS11L9NSC-159134DTXCID6016313A5MI cpdRefChem:537086
名称をさらに表示
3-アミノ-5-メチルイソオキサゾール5-メチル-3-イソオキサゾールアミン5-メチルイソオキサゾール-3-アミン3‐アミノ‐5‐メチルイソオキサゾール3-アミノ-5-メチルイソキサゾール3-Isoxazolamine,5-methyl-Sulfamethoxazole impurity CNSC 159134AKOS BBS-00004236TIMTEC-BB SBB0055533-Amino-5-methylisoxLABOTEST-BB LT00080632
214-013-63-Methyl-5-aminoisoxazole5-methylisoxazol-3-amine5-methyl-1,2-oxazol-3-amine5-Methylisoxazol-3-ylamine3-Amino-5-methyl-isoxazoleMFCD000031555-methyl-isoxazol-3-ylamine

データベース識別子

CAS
1072-67-9
PubChem CID
66172
DTXSID
DTXSID9021631
ChEMBL
CHEMBL3183354
UNII
G54MJS11L9
EC Number
214-013-6
Nikkaji
J80.140B

物性

構造計算による物性

XLogP
0.1
極性表面積
52.1 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
0
重原子数
7

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionYellow chips; [Alfa Aesar MSDS]

物理化学的性質

融点
59 · 59-61 °C(lit.)
沸点
183.6 °C · 183.6°C (rough estimate)
比重(密度)
1.189 · 1.1890 (rough estimate)
屈折率
1.4327 · 1.4327 (estimate)
貯蔵温度
2 · 2-8°C
溶解性
溶ける

化学的性質

化学的特性yellow crystalline powder, crystals and chunks

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.

Danger

H228 (12.5%): Flammable solid [Danger Flammable solids]

P203, P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 3-Isoxazolamine, 5-methyl-

3-Isoxazolamine, 5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay explode on heating; A skin and strong eye irritant; [Alfa Aesar MSDS] See Isoxazole.
Hazard Classes and CategoriesFlam. Sol. 2 (12.5%)

安全データ

F
4.6
wgk
3
tsca
TSCA listed
hs_code
29349990
risk_code
5-36/37/38-11-36/37/38/5-20/21/22
化審法
(9)-2177

化学と産業

用途と製造

General Manufacturing Information3-Isoxazolamine, 5-methyl-: ACTIVE
応用分野 · 2 件

使用3-Amino-5-methylisoxazole was used in synthesis of:naphtho[1,2-e][1,3]oxazinesseries of 1-aryl-4-methyl-3,6-bis-(5-methylisoxazol-3-yl)-2-thioxo-2,3,6,10b-tetrahydro-1H-pyrimido[5,4-c]quinolin-5-ones, having potential mosquito larvicidal activityhydroxylamines of sulfadiazine and sulfamethoxazole

一般的な説明3-Amino-5-methylisoxazole is the major intermediate formed during sulfamethoxazole biodegradation by Pseudomonas psychrophila strain HA-4. It is the intermediate formed during the photocatalytic degradation of sulfamethoxazole (SMX).

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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