기본 정보
- CAS
42059-81-4- 표준 SMILES
Cc1ccc2occ(C=O)c(=O)c2c1- InChIKey
GBWMIOYSMWCYIZ-UHFFFAOYSA-N- 분자식
- C11H8O3
- 평균 분자량
- 188.18 g/mol
- 단동위원소 질량
- 188.04734411
이름 및 식별자
- 우선 이름
- 3-Formyl-6-methylchromone
- IUPAC
- 6-methyl-4-oxochromene-3-carbaldehyde
- 현지명
- 3-포밀-6-메틸크로몬
- 영어명
- 3-Formyl-6-methylchromone
- 분자식
- C11H8O3
- 분자량
- 188.18
이름 및 동의어
3-Formyl-6-methylchromone42059-81-46-methyl-4-oxochromene-3-carbaldehydeDTXSID30350964RefChem:502070DTXCID00302031811-073-06-methyl-4-oxo-4H-chromene-3-carbaldehydeMFCD001389436-Methylchromone-3-carboxaldehydeSCHEMBL9110986-Methyl-4-oxo-4H-1-benzopyran-3-carbaldehyde
이름 더 보기
3-포밀-6-메틸크로몬3-포르밀-6-메틸크롬IFLAB-BB F2121-00356-Methyl-3-formyl chromone3-Formyl-6-methylchromone,97%3-Formyl-6-methoxy-4-chromanone6-methyl-4-oxo-3-chromenecarboxaldehyde4-keto-6-methyl-chromene-3-carbaldehyde
3-Formyl-6-methylchromone, 97%6-Methyl-4-oxo-4H-1-benzopyran-3-carboxaldehydeSTK399814F2121-0035UPCMLD0ENAT5342286:0016-methyl-4-oxo-chromene-3-carbaldehydeCS-0072302F1005
데이터베이스 식별자
- CAS
42059-81-4- PubChem CID
- 688709
- DTXSID
DTXSID30350964- EC Number
- 811-073-0
- Nikkaji
- J757.163A
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 43.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 293
물리화학적 성질
- 녹는점
- 172 · 172-173 °C (lit.)
- 끓는 점
- 335.1 · 335.1±42.0 °C(Predicted)
- 밀도
- 1.47 g/cm3 · 1.47 g/cm3
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- White to Yellow to Green
- InChI
- InChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
- InChIKey
- GBWMIOYSMWCYIZ-UHFFFAOYSA-N
- SMILES
- C1OC2=CC=C(C)C=C2C(=O)C=1C=O
화학적 성질
yellow powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- wgk
- 3
- HS 번호
- 29329990
- hazard_code
- Xi
- safety_code
- 24/25
- 위험 등급
- IRRITANT
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도3-Formyl-6-methylchromone may be used in the preparation of series of Schiff′s bases, via reaction with aromatic sulfonamides, such as sulfanilamide, homosulfanilamide, 4-aminoethyl-benzenesulfonamide, a pyrimidinyl-substituted sulfanilamide derivative, sulfaguanidine and 4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide. It may be used in the preparation of Schiff base, which undergoes addition reaction with diethyl phosphite to afford bis[(1,2,4,3-triazaphospholyl)(chromonyl)aminomethylphosphonate] derivative and bis[(1,2,4,3-triazaphospholyl)(chromonyl)phosphorylamino-methylphosphonate] derivative.
일반 설명3-Formyl-6-methylchromone is a 3-formyl-substituted chromone. The combustion calorimetric estimation of the enthalpy of combustion of 3-formyl-6-methylchromone has been reported. Its anti-proliferative action on the MDR human colon cancer and mouse lymphoma has been investigated.
공급사65 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
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