3,5-디메틸리속사졸-4-카르보닐클로라이드

3,5-Dimethylisoxazole-4-carbonyl Chloride

HCID 2736265CAS 31301-45-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1noc(C)c1C(=O)Cl
InChIKey: MPYGFFPGJMGVSW-UHFFFAOYSA-N
분자식: C6H6ClNO2
평균 분자량: 159.57 g/mol
단동위원소 질량: 159.0087061

이름 및 식별자

우선 이름: 3,5-Dimethylisoxazole-4-carbonyl Chloride
IUPAC: 3,5-dimethyl-1,2-oxazole-4-carbonyl chloride
현지명: 3,5-디메틸리속사졸-4-카르보닐클로라이드
영어명: 3,5-Dimethylisoxazole-4-carbonyl chloride
분자식: C6H6ClNO2
분자량: 159.57

이름 및 동의어

3,5-dimethylisoxazole-4-carbonyl chloride31301-45-8DTXSID00371242RefChem:271964DTXCID20322276673-076-13,5-dimethyl-1,2-oxazole-4-carbonyl chlorideMFCD00052555dimethyl-1,2-oxazole-4-carbonyl chloride4-Isoxazolecarbonyl chloride, 3,5-dimethyl-3,5-dimethylisoxasole-4-carbonyl chloride3,5-dimethylisoxazole-4-carbonylchloride

이름 더 보기

3,5-디메틸리속사졸-4-카르보닐클로라이드BUTTPARK 27\08-44TIMTEC-BB SBB0054653,5-Dimethylisoxazole-4-carbonyl c3,5-Dimethylisoxazole-4-carbonylhloride5-Dimethylisoxazole-4-carbonyl chloride3,5-Dimethylisoxazole-4-carbnyl chloride

3,5-dimethyl-4-isoxazolecarbonyl chloride3,5-Dimethyl-isoxazole-4-carbonyl chlorideD4706SCHEMBL193631MPYGFFPGJMGVSW-UHFFFAOYSA-NALBB-010038BBL037778SBB005465

데이터베이스 식별자

CAS: 31301-45-8
PubChem CID: 2736265
DTXSID: DTXSID00371242
EC Number: 673-076-1
Nikkaji: J1.581.245A

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 151

물리화학적 성질

끓는 점: 90 °C · 90°C 15mm
밀도: 1.282 · 1.282±0.06 g/cm3(Predicted)
굴절률: 1.496 to · 1.4960 to 1.5000
산도 계수 (pKa): -2.98 · -2.98±0.28(Predicted)
물리적 상태: 투명한 액체
색상: Colorless to Light orange to Yellow
수용성: 물과 반응합니다.

화학적 성질

Colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H290 (12.5%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesMet. Corr. 1 (12.5%)；Skin Corr. 1B (100%)；Eye Dam. 1 (12.5%)；STOT SE 3 (25%)

안전 데이터

ridadr: 3265
HS 번호: 29349990
risk_code: 34-36
hazard_code: C,Xi
safety_code: 26-36/37/39-26/36/37/39/45/60-20-45-25
포장분류: II
위험 등급: 8
위험 참고 사항: Irritant

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

4-이속사졸카르복사미드,N,N,3,5-테트라메틸-(9CI)

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]

연결된 노트

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