Basic information
- CAS
14791-78-7- Standard SMILES
Nc1ccc(N)c(F)c1- InChIKey
FXFTWEVIIHVHDS-UHFFFAOYSA-N- Molecular formula
- C6H7FN2
- Average molar mass
- 126.13 g/mol
- Monoisotopic mass
- 126.05932639
Names & identifiers
- Preferred name
- 2-Fluorobenzene-1,4-diamine
- IUPAC
- 2-fluorobenzene-1,4-diamine
- English name
- 2-Fluoro-benzene-1,4-diamine
- Molecular formula
- C6H7FN2
- Molecular weight
- 126.13
Names & synonyms
2-fluorobenzene-1,4-diamine14791-78-7DTXSID50323079RefChem:1063113DTXCID502741982-FLUORO-BENZENE-1,4-DIAMINEMFCD099556181,4-Benzenediamine, 2-fluoro-3-fluoro-4-aminoanilineNSC4029882,5-diaminofluoroben-zeneSCHEMBL33738
Show more names
2-fluoro-para-phenylenediamine
AKOS009342327DS-4233SCHEMBL29415472MB0829MB08293NSC-402988SY117453DB-063739
Database identifiers
- CAS
14791-78-7- PubChem CID
- 345372
- DTXSID
DTXSID50323079- EC Number
- 809-136-2
- Nikkaji
- J2.437.468H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 97.1
Physicochemical properties
- Melting point
- 87.5 · 87.5-89.0 °C
- Boiling point
- 256.1 · 256.1±20.0 °C(Predicted)
- Density
- 1.284 · 1.284±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.84 · 4.84±0.10(Predicted)
- Appearance
- Gray to black Solid
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 280 · P280-P305+P351+P338
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers42 total
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]
郑州汇聚化工有限公司13393710386 · [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]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Related reactions
3 records
Compound notes
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