3,4,5-Trimethoxytoluene
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기본 정보
- CAS
6443-69-2- 표준 SMILES
COc1cc(C)cc(OC)c1OC- InChIKey
KCIZTNZGSBSSRM-UHFFFAOYSA-N- 분자식
- C10H14O3
- 평균 분자량
- 182.22 g/mol
- 단동위원소 질량
- 182.0942943
이름 및 식별자
- 우선 이름
- 3,4,5-Trimethoxytoluene
- IUPAC
- 1,2,3-trimethoxy-5-methylbenzene
- 영어명
- 3,4,5-Trimethoxytoluene
- 분자식
- C10H14O3
- 분자량
- 182.22
이름 및 동의어
3,4,5-Trimethoxytoluene6443-69-21,2,3-Trimethoxy-5-methylbenzeneDZV7MLT5SBDTXSID80214683RefChem:90941DTXCID10137174229-239-0Benzene, 1,2,3-trimethoxy-5-methyl-5-Methylpyrogallol trimethyl ether1,2,3-Trimethoxy-5-methyl-benzene3,4,5-Trimethoxy toluene
이름 더 보기
TriMethoxytoluene3,4,5-TrimethoxytoluTrimethoprim Lactnte3,4,5-trimethoxytoluen3,4,5-Trimethoxytolune3,4,5-Trimethoxytoluene,97%
MFCD00008397Toluene, 3,4,5-trimethoxy-EINECS 229-239-03,4,5-trimethoxy-tolueneCHEMBL156710EC 229-239-0BDBM50008538CS-W017113
데이터베이스 식별자
- CAS
6443-69-2- PubChem CID
- 80922
- DTXSID
DTXSID80214683- ChEMBL
CHEMBL156710- ChEBI
CHEBI:81354- UNII
- DZV7MLT5SB
- EC Number
- 229-239-0
- Nikkaji
- J32.101J
물성
구조 계산 물성보충 중
- XLogP
- 1.8
- 극성 표면적
- 27.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 135
실험 및 물리화학적 성질
Kovats Retention Index
1400；1400；1419；1421；1400；1435；1410；1406.5；1408；1395.1；1407；1404.8
2041；2041
물리화학적 성질
- 녹는점
- 24 · 24-26 °C (lit.)
- 끓는 점
- 117 · 117-118 °C/5 mmHg (lit.)
- 밀도
- 1.082 g/mL · 1.082 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.523(lit.)
- 인화점
- 166 °F · 166 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to lump to clear liquid
- 색상
- White or Colorless to Light yellow
- Specific Gravity
- 1.082 · 1.082
- BRN
- 1953791 · 1953791
- InChI
- 1S/C10H14O3/c1-7-5-8(11-2)10(13-4)9(6-7)12-3/h5-6H,1-4H3
- InChIKey
- KCIZTNZGSBSSRM-UHFFFAOYSA-N
- SMILES
- COc1cc(C)cc(OC)c1OC
- LogP
- 1.819 · 1.819 (est)
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 100% (107 of 107) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 107 of 107 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 107 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 107 of 107 reports by companies.；There are 0 notifications provided by 0 of 107 reports by companies with hazard statement code(s).；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
Regulatory InformationStatus: Active Update: 20-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7738；Status: Active Update: 29-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12700
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory InformationStatus: Active Update: 20-10-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7738；Status: Active Update: 29-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12700
안전 데이터
- wgk
- 3
- HS 번호
- 29093090
- hazard_code
- Xi
화학 및 산업
응용 분야
용도3,4,5-Trimethoxytoluene is a reagent for oxadiazolylindazole sodium channel modulators which are neuroprotective toward hippocampal neurons.
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