Basic information
- CAS
2369-29-1- Standard SMILES
Nc1cc(F)cc(F)c1N- InChIKey
QGNXDMSEEPNKCF-UHFFFAOYSA-N- Molecular formula
- C6H6F2N2
- Average molar mass
- 144.12 g/mol
- Monoisotopic mass
- 144.04990452
Names & identifiers
- Preferred name
- 1,2-Diamino-3,5-difluorobenzene
- IUPAC
- 3,5-difluorobenzene-1,2-diamine
- English name
- 1,2-Diamino-3,5-difluorobenzene
- Molecular formula
- C6H6F2N2
- Molecular weight
- 144.12
Names & synonyms
2369-29-11,2-Diamino-3,5-difluorobenzeneDTXSID50371575RefChem:215783DTXCID103226093,5-Difluorobenzene-1,2-diamine1,2-Benzenediamine, 3,5-difluoro-1,2-Benzenediamine,3,5-difluoro-MFCD009738993,5-Difluoro-1,2-benzenediamine3,5-DIFLUORO-1,2-PHENYLENEDIAMINESCHEMBL101668
Show more names
BUTTPARK 19\01-533,5-Difluorophenylene-1,2-diamine, 1,2-Diamino-3,5-difluorobenzene
CS-W021815AC-9692EN300-1129123,5-difluoro-benzene-1,2-diamineAM61858FT-0634229A2051435-Difluorobenzene-12-diamine
Database identifiers
- CAS
2369-29-1- PubChem CID
- 2736754
- DTXSID
DTXSID50371575- EC Number
- 674-875-8
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 48.5 · 48.5-49.5℃
- Boiling point
- 246.1 · 246.1±35.0 °C(Predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- crystalline solid
- pka
- 2.83 · 2.83±0.10(Predicted)
- color
- White to dark brown two-tone
- InChI
- 1S/C6H6F2N2/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,9-10H2
- InChIKey
- QGNXDMSEEPNKCF-UHFFFAOYSA-N
- SMILES
- Nc1cc(F)cc(F)c1N
- CAS DataBase Reference
- 2369 · 2369-29-1(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2921599090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers68 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Related reactions
3 records
Compound notes
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