Basic information
- CAS
302912-21-6- Standard SMILES
COc1ccc2[nH]ccc2c1C- InChIKey
RISMXZVKSIWLMK-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Names & identifiers
- Preferred name
- 5-Methoxy-4-methylindole
- IUPAC
- 5-methoxy-4-methyl-1H-indole
- English name
- 5-METHOXY-4-METHYLINDOLE
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
5-Methoxy-4-methylindoleRefChem:536700623-623-55-methoxy-4-methyl-1H-indole302912-21-61H-Indole, 5-methoxy-4-methyl-MFCD018636154-Methyl-5-methoxyindole5-methoxy-4-methyl-indoleSCHEMBL1400405SCHEMBL1969418SCHEMBL9740551
Show more names
5-Methoxy-4-Methylindole 98%DTXSID303911755-Methoxy-4-methylindole, 98%RISMXZVKSIWLMK-UHFFFAOYSA-NAKOS016014298AS-602525-methoxy-4-methyl-1H-indole - [AC80455]A12401
Database identifiers
- CAS
302912-21-6- PubChem CID
- 3296242
- DTXSID
DTXSID30391175- EC Number
- 623-623-5
- Nikkaji
- J1.760.570D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 25 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 76 · 76-79 °C (lit.)
- Boiling point
- 303.3 · 303.3±22.0 °C(Predicted)
- Density
- 1.134 · 1.134±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 17.06 · 17.06±0.30(Predicted)
- InChI
- 1S/C10H11NO/c1-7-8-5-6-11-9(8)3-4-10(7)12-2/h3-6,11H,1-2H3
- InChIKey
- RISMXZVKSIWLMK-UHFFFAOYSA-N
- SMILES
- COc1ccc2[nH]ccc2c1C
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for preparation of β-carboline-1-carboxylic acids as inhibitors of mitogen activated protein kinase-activated protein kinase 2. Reactant for preparation of indolyl and isoquinolinyl anthranilates as PPARδ partial agonists 2
UsesReactant for preparation of β-carboline-1-carboxylic acids as inhibitors of mitogen activated protein kinase-activated protein kinase 2Reactant for preparation of indolyl and isoquinolinyl anthranilates as PPARδ partial agonists
General Description5-Methoxy-4-methylindole or 5-methoxy-4-methyl-1H-indole is a substituted 1H-indole. Its efficacy as a substrate for indigoid production has been evaluated.
Suppliers25 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
苏州启航生物科技有限公司18151111370
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
盐城康迪森医药科技有限公司13812573443;18052965989 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
重庆卡兰医药有限公司[email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
武汉裕清嘉衡药业有限公司027-83855382 15926260338 · [email protected]
Related reactions
11 records
Compound notes
Loading…