3-아미노-5-메틸이속사졸

3-Amino-5-methylisoxazole

HCID 66172CAS 1072-67-9
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cc(N)no1
InChIKey
FKPXGNGUVSHWQQ-UHFFFAOYSA-N
분자식
C4H6N2O
평균 분자량
98.1 g/mol
단동위원소 질량
98.04801281

이름 및 식별자

우선 이름
3-Amino-5-methylisoxazole
IUPAC
5-methyl-1,2-oxazol-3-amine
현지명
3-아미노-5-메틸이속사졸
영어명
3-Amino-5-methylisoxazole
분자식
C4H6N2O
분자량
98.1

이름 및 동의어

3-Amino-5-methylisoxazole1072-67-95-Methyl-3-isoxazolamine3-Isoxazolamine, 5-methyl-5-Methyl-3-aminoisoxazoleIsoxazole, 3-amino-5-methyl-DTXSID9021631G54MJS11L9NSC-159134DTXCID6016313A5MI cpdRefChem:537086
이름 더 보기
3-아미노-5-메틸이속사졸3-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0.1
극성 표면적
52.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
7

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
59 · 59-61 °C(lit.)
끓는 점
183.6 °C · 183.6°C (rough estimate)
밀도
1.189 · 1.1890 (rough estimate)
굴절률
1.4327 · 1.4327 (estimate)
저장 조건
2 · 2-8°C
용해도
쉽게 용해됨

화학적 성질

yellow crystalline powder, crystals and chunks

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29349990
risk_code
5-36/37/38-11-36/37/38/5-20/21/22
hazard_code
Xi-F,Xi,F,Xn
safety_code
22-24/25-47-37/39-26-16-26/37/39/47-36

화학 및 산업

용도 및 제조

General Manufacturing Information3-Isoxazolamine, 5-methyl-: ACTIVE
응용 분야 · 2건

용도3-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

일반 설명3-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).

상·하류 제품 정보

공급사50 곳

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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