2,3,4-Trimethoxybenzaldehyde
기본 정보
- CAS
2103-57-3- 표준 SMILES
COc1ccc(C=O)c(OC)c1OC- InChIKey
UCTUXUGXIFRVGX-UHFFFAOYSA-N- 분자식
- C10H12O4
- 평균 분자량
- 196.2 g/mol
- 단동위원소 질량
- 196.07355886
이름 및 식별자
- 우선 이름
- 2,3,4-Trimethoxybenzaldehyde
- IUPAC
- 2,3,4-trimethoxybenzaldehyde
- 영어명
- 2,3,4-Trimethoxybenzaldehyde
- 분자식
- C10H12O4
- 분자량
- 196.2
이름 및 동의어
2,3,4-Trimethoxybenzaldehyde2103-57-3Benzaldehyde, 2,3,4-trimethoxy-7ZY3UK34C4DTXSID6062179EINECS 218-271-0AI3-36670TRIMETAZIDINE DIHYDROCHLORIDE IMPURITY C [EP IMPURITY]TRIMETAZIDINE DIHYDROCHLORIDE IMPURITY C (EP IMPURITY)RefChem:441733Benzaldehyde, 2,3,4trimethoxyDTXCID6036413
이름 더 보기
TriMetazidine EP IMpurity-C2,3,4-TMBAKOS BBS-000031742,3,4-TrimethoxybenzaLTrimetazidine Impurity C4-TriMethoxybenzaldehydetrimetazidine impurity11392,3,4-TrimetoxybenzaldehydeTrimetazidine intermediate
218-271-0TrimethoxybenzaldehydeTrimetazidine EP Impurity CMFCD0000331054061-90-4Benzaldehyde, trimethoxy-2,3,4-Trimethoxy-benzaldehydeTrimetazidine Dihydrochloride Imp. C (EP); Trimetazidine Imp. C (EP); 2,3,4-Trimethoxybenzaldehyde; Trimetazidine Dihydrochloride Impurity C; Trimetazidine Impurity C
데이터베이스 식별자
- CAS
2103-57-3、54061-90-4- PubChem CID
- 75006
- DTXSID
DTXSID6062179- UNII
- 7ZY3UK34C4
- EC Number
- 218-271-0、258-950-9
- Nikkaji
- J30.711D
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 183
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Benzaldehydes
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionWhite to off-white powder; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 38 · 38-40 °C(lit.)
- 끓는 점
- 168 · 168-170 °C12 mm Hg(lit.)
- 밀도
- 1.2166 · 1.2166 (rough estimate)
- 굴절률
- 20 · n20/D 1.5547(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 0.1 g/mL, · 메탄올: 0.1 g/mL, 투명
- 물리적 상태
- 결정 또는 결정성 분말
- 색상
- 흰색에서 밝은 노란색
- BRN
- 981091 · 981091
- InChI
- InChI=1S/C10H12O4/c1-12-8-5-4-7(6-11)9(13-2)10(8)14-3/h4-6H,1-3H3
- InChIKey
- UCTUXUGXIFRVGX-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(OC)C(OC)=C1OC
- NIST
- 2 · Benzaldehyde, 2,3,4-trimethoxy-(2103-57-3)
- EPA
- 2 · Benzaldehyde, 2,3,4-trimethoxy- (2103-57-3)
화학적 성질
white to light yellow crystals or cryst. powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 41.7% (5 of 12) of reports.
Warning
H315 (58.3%): 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 12 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Benzaldehyde, 2,3,4-trimethoxy-
Status: Active Update: 09-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24773
Benzaldehyde, 2,3,4-trimethoxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (58.3%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29124900
- risk_code
- 36/37/38-34
- hazard_code
- Xi,C
- safety_code
- 22-24/25-45-36/37/39-27-26
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzaldehyde, 2,3,4-trimethoxy-: INACTIVE
응용 분야
개요2,3,4-Trimethoxybenzaldehyde is a white crystalline powder, and the chemical formula is C 10H 12O 4; the molecular weight is 196.2; the fusing point is 38-40 degrees, and is a kind of important medicine intermediate; it is mainly used in new type drug Ca2+ Synthesizing of channel blocker. The alternative cerebral arteries that are used for this medicine reduce the headache incidence, mainly for the preparation of the intermediate of trimetazidine.
용도2,3,4-Trimethoxybenzaldehyde is a trimethoxylated aromatic aldehyde. 2,3,4-Trimethoxybenzaldehyde is an Impurity of the anti-anginal drug Trimetazidine (T795610).
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