Basic information
- CAS
16381-46-7- Standard SMILES
Cc1c(C(=O)O)[nH]c2ccc(F)cc12- InChIKey
XNWVWEWWPNKNJX-UHFFFAOYSA-N- Molecular formula
- C10H8FNO2
- Average molar mass
- 193.17 g/mol
- Monoisotopic mass
- 193.05390666
Names & identifiers
- Preferred name
- 5-Fluoro-3-methyl-1H-indole-2-carboxylic acid
- IUPAC
- 5-fluoro-3-methyl-1H-indole-2-carboxylic acid
- English name
- 5-Fluoro-3-methyl-1H-indole-2-carboxylic acid
- Molecular formula
- C10H8FNO2
- Molecular weight
- 193.17
Names & synonyms
5-Fluoro-3-methyl-1H-indole-2-carboxylic acid16381-46-7DTXSID20360638RefChem:102637DTXCID60311689824-698-9MFCD060110781H-Indole-2-carboxylic acid, 5-fluoro-3-methyl-5-Fluoro-3-methyl-2-indolic acid5-fluoro-3-methylindole-2-carboxylic acidSCHEMBL2730323XNWVWEWWPNKNJX-UHFFFAOYSA-N
Show more names
TIMTEC-BB SBB0108832-fluoro-3-methyl-1H-indole-5-carboxylic acid5-fluoro-3-methyl-1H-indole-2-carboxylic acid(SALTDATA: FREE)
ALBB-005029SBB010883STK501547AKOS000321424AS-42833ST0809475-fluoro-3-methyl-indole-2-carboxylic acidCS-0307905
Database identifiers
- CAS
16381-46-7- PubChem CID
- 1132967
- DTXSID
DTXSID20360638- EC Number
- 824-698-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 412.8 · 412.8±40.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 3.95 · 3.95±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- 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
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 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers18 total
上海策嵘生物科技有限公司[email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [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]
赛纳斯特化学（欢迎点击联系）021-60343070
KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
9 records
Compound notes
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