Basic information
- CAS
441715-30-6- Standard SMILES
Cn1cc(C=O)c2cc(F)ccc21- InChIKey
ZBZJEWSFESAGMQ-UHFFFAOYSA-N- Molecular formula
- C10H8FNO
- Average molar mass
- 177.17 g/mol
- Monoisotopic mass
- 177.0589921
Names & identifiers
- Preferred name
- 5-fluoro-1-methyl-1H-indole-3-carbaldehyde
- IUPAC
- 5-fluoro-1-methylindole-3-carbaldehyde
- English name
- 5-Fluoro-1-methyl-1H-indole-3-carbaldehyde
- Molecular formula
- C10H8FNO
- Molecular weight
- 177.18
Names & synonyms
5-Fluoro-1-methyl-1H-indole-3-carbaldehyde441715-30-6DTXSID10362540RefChem:303092DTXCID80313589852-732-25-fluoro-1-methylindole-3-carbaldehydeMFCD041140105-fluoro-1-methyl-1H-indole-3-carboxaldehyde1H-Indole-3-carboxaldehyde, 5-fluoro-1-methyl-MLS000718598SCHEMBL1092202
Show more names
AKOS JY20833095-FLUORO-1-METHYLINDOLE-3-CARBOXALDEHYDE5-fluoro-1-methyl-1H-indole-3-carbaldehyde(SALTDATA: FREE)
CHEMBL1602196HMS2669N14ALBB-005049SBB013182STK501564AKOS000302667FF872415-fluoro-1-methyl-indole-3-carbaldehyde
Database identifiers
- CAS
441715-30-6- PubChem CID
- 1382009
- DTXSID
DTXSID10362540- ChEMBL
CHEMBL1602196- EC Number
- 852-732-2
- Nikkaji
- J3.116.227K
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
Experimental & physicochemical properties
Solubility>26.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- 3
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers19 total
天津瑞德法莫科技有限公司13821803402 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[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]
常州合晶化工有限公司85528066 13775048983 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
17 records
Compound notes
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