Basic information
- CAS
78581-99-4- Standard SMILES
Fc1cc2nc[nH]c2cc1F- InChIKey
IAYQNPPZFVAZLY-UHFFFAOYSA-N- Molecular formula
- C7H4F2N2
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03425446
Names & identifiers
- Preferred name
- 5,6-difluoro-1H-1,3-benzodiazole
- IUPAC
- 5,6-difluoro-1H-benzimidazole
- English name
- 1H-Benzimidazole,5,6-difluoro-(9CI)
- Molecular formula
- C7H4F2N2
- Molecular weight
- 154.12
Names & synonyms
5,6-difluoro-1H-1,3-benzodiazoleRefChem:528023672-820-25,6-Difluorobenzimidazole78581-99-45,6-difluoro-1H-benzimidazoleMFCD020315301H-Benzimidazole,5,6-difluoro-(9CI)5,6-difluoro-1H-benzo[d]imidazole1H-Benzimidazole,5,6-difluoro-1H-Benzimidazole, 5,6-difluoro-NSC402990
Show more names
SCHEMBL1266091SCHEMBL1888555SCHEMBL21797549DTXSID60323080IAYQNPPZFVAZLY-UHFFFAOYSA-NSBB086965XH00145,6-Difluoro-1H-1,3-benzimidazole
Database identifiers
- CAS
78581-99-4- PubChem CID
- 345375
- DTXSID
DTXSID60323080- EC Number
- 672-820-2
- Nikkaji
- J3.650.464A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 159 · 159-161°
- Boiling point
- 369.5 · 369.5±22.0 °C(Predicted)
- Density
- 1.488 · 1.488±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 11.54 · 11.54±0.30(Predicted)
- Appearance
- Purple to light brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- 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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers37 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
安特希（苏州）生物科技有限公司19951207836 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Related reactions
2 records
Compound notes
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