Basic information
- CAS
868596-13-8- Standard SMILES
N#Cc1cc(F)cc(F)c1[N+](=O)[O-]- InChIKey
GCJYPUIYHNBJPH-UHFFFAOYSA-N- Molecular formula
- C7H2F2N2O2
- Average molar mass
- 184.1 g/mol
- Monoisotopic mass
- 184.00843363
Names & identifiers
- Preferred name
- 3,5-Difluoro-2-nitrobenzonitrile
- IUPAC
- 3,5-difluoro-2-nitrobenzonitrile
- English name
- 3,5-Difluoro-2-nitrobenzonitrile
- Molecular formula
- C7H2F2N2O2
- Molecular weight
- 184.1
Names & synonyms
3,5-Difluoro-2-nitrobenzonitrile868596-13-8DTXSID70712406RefChem:271752DTXCID80663152824-249-7MFCD13185568Benzonitrile, 3,5-difluoro-2-nitro-SCHEMBL56482GCJYPUIYHNBJPH-UHFFFAOYSA-NTJB59613AKOS022172395
Show more names
SY186883DB-293895CS-0377288EN300-80689E86307Z1224390200
Database identifiers
- CAS
868596-13-8- PubChem CID
- 54594335
- DTXSID
DTXSID70712406- EC Number
- 824-249-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- fine powder
- color
- Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P301+P312
- HS Code
- 2926907090 · 2926907090
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]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)
Safety data
- hs_code
- 2926907090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P301+P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers13 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海今寅生物科技有限公司021-20986266 18019349802 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
常州安赛普化工有限公司0519-86305871 13961213398 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海皓鸿生物医药科技有限公司
Related reactions
4 records
Compound notes
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