Basic information
- CAS
169674-01-5- Standard SMILES
Fc1cc2cc[nH]c2cc1F- InChIKey
YCVSNMPGFSFANR-UHFFFAOYSA-N- Molecular formula
- C8H5F2N
- Average molar mass
- 153.13 g/mol
- Monoisotopic mass
- 153.0390056
Names & identifiers
- Preferred name
- 5,6-Difluoro-1H-indole
- IUPAC
- 5,6-difluoro-1H-indole
- English name
- 5,6-Difluoroindole
- Molecular formula
- C8H5F2N
- Molecular weight
- 153.13
Names & synonyms
169674-01-55,6-difluoro-1H-indoleRefChem:528025800-085-15,6-Difluoroindole1H-INDOLE, 5,6-DIFLUORO-MFCD010752125,6-difluoro-1H-indolSCHEMBL188052CHEMBL4087204DTXSID10381099AKOS005063978
Show more names
5,6-Difluoroindole98%1H-Indole,5,6-difluoro-1H-Indole,5,6-difluoro-(9CI)
AC-2258SCHEMBL1965665SCHEMBL3059466BBL100796EBC-13367SBB054559STL554590CS-W009079
Database identifiers
- CAS
169674-01-5- PubChem CID
- 2778732
- DTXSID
DTXSID10381099- ChEMBL
CHEMBL4087204- EC Number
- 800-085-1
- Nikkaji
- J2.135.171G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 15.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 264.5 · 264.5±20.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 15.56 · 15.56±0.30(Predicted)
- form
- powder
- color
- Yellow
- CAS DataBase Reference
- 169674 · 169674-01-5(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P271-P280
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- 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.
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
- hs_code
- 2933998090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers89 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海哲研生物科技有限公司021-18017610038 18017610038 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd
Related reactions
12 records
Compound notes
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