Basic information
- CAS
3456-75-5- Standard SMILES
N#CCc1cc(F)ccc1[N+](=O)[O-]- InChIKey
YETOJTGGLXHUCS-UHFFFAOYSA-N- Molecular formula
- C8H5FN2O2
- Average molar mass
- 180.14 g/mol
- Monoisotopic mass
- 180.03350557
Names & identifiers
- Preferred name
- 2-(5-Fluoro-2-nitrophenyl)acetonitrile
- IUPAC
- 2-(5-fluoro-2-nitrophenyl)acetonitrile
- English name
- 5-Fluoro-2-nitrophenylacetonitrile
- Molecular formula
- C8H5FN2O2
- Molecular weight
- 180.14
Names & synonyms
2-(5-fluoro-2-nitrophenyl)acetonitrile5-Fluoro-2-nitrobenzeneacetonitrileRefChem:458835642-621-55-Fluoro-2-nitrophenylacetonitrile3456-75-5Benzeneacetonitrile, 5-fluoro-2-nitro-MFCD00039742BRN 2617246ACETONITRILE, 2-(5-FLUORO-2-NITROPHENYL)-Acetonitrile, (5-fluoro-2-nitrophenyl)-SCHEMBL10687053
Show more names
2-(5-Fluoro-2-nitrophenyl)2-fluoro-5-nitro benzylnitrile5-Fluoro-2-nitrophenylacetonitrile 95%2-(5-fluoro-2-nitro-phenyl)acetonitrile2-(5-fluoro-2-nitro-phenyl)ethanenitrile
(5-fluoro-2-nitrophenyl)acetonitrileCL8965AKOS005257707BP-13097CS-0314088FT-0634865DTXSID20188096Acetonitrile, (5-fluoro-2-nitrophe
Database identifiers
- CAS
3456-75-5- PubChem CID
- 18945
- DTXSID
DTXSID20188096- EC Number
- 642-621-5
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Melting point
- 70 · 70-72°C
- Boiling point
- 303.6 · 303.6±27.0 °C(Predicted)
- Density
- 1.367 · 1.367±0.06 g/cm3(Predicted)
- RTECS
- 200000 · AM0200000
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H331-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- RIDADR
- 3439 · UN3439
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
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
H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (16.7%)
Safety data
- ridadr
- UN3439
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H315-H319-H331-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers36 total
南京凯美西化工有限公司02558748998 18951874644 · [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]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [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[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Allfluoro Pharmaceutical Company Limited
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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