3,4,5-Trimethoxytoluene

HCID 80922CAS 6443-69-2
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

실험 및 물리화학적 성질

Kovats Retention Index · 2건

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

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 3건

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
safety_code
23-24/25
기존화학 물질
2015-3-7159
스토리지 클래스
10 - Combustible liquids

화학 및 산업

응용 분야

용도3,4,5-Trimethoxytoluene is a reagent for oxadiazolylindazole sodium channel modulators which are neuroprotective toward hippocampal neurons.

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]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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