Basic information
- CAS
441715-93-1- Standard SMILES
Cn1cc(C=O)c2ccc(F)cc21- InChIKey
IQKABDVTBNOGEW-UHFFFAOYSA-N- Molecular formula
- C10H8FNO
- Average molar mass
- 177.17 g/mol
- Monoisotopic mass
- 177.0589921
Names & identifiers
- Preferred name
- 6-Fluoro-1-methyl-1H-indole-3-carbaldehyde
- IUPAC
- 6-fluoro-1-methylindole-3-carbaldehyde
- English name
- 6-Fluoro-1-methyl-1H-indole-3-carbaldehyde
- Molecular formula
- C10H8FNO
- Molecular weight
- 177.18
Names & synonyms
6-Fluoro-1-methyl-1H-indole-3-carbaldehyde441715-93-1DTXSID40424660RefChem:308340DTXCID703754946-fluoro-1-methylindole-3-carbaldehydeMFCD077907641H-Indole-3-carboxaldehyde, 6-fluoro-1-methyl-6-fluoro-1-methyl-1H-indole-3-carboxaldehydeSCHEMBL1093250IQKABDVTBNOGEW-UHFFFAOYSA-NALBB-005048
Show more names
TIMTEC-BB SBB0106076-fluoro-1-Methyl-1H-indole6-Fluoro-1-methyl-1H-indol-3-carbaldehyde6-fluoro-1-methyl-1H-indole-3-carbaldehyde(SALTDATA: FREE)
STK501563AKOS0003214906-fluoro-1-methyl-indole-3-carbaldehydeBS-17284ST076767SY079630CS-0151183D82184
Database identifiers
- CAS
441715-93-1- PubChem CID
- 6498197
- DTXSID
DTXSID40424660
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Boiling point
- 322.3 · 322.3±22.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Appearance
- Off-white to yellow Solid
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- risk_code
- 41
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers24 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海伯韵医药科技有限公司13817873692 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
Related reactions
15 records
Compound notes
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