Basic information
- CAS
499-08-1- Standard SMILES
Cc1cc(F)cc([N+](=O)[O-])c1- InChIKey
IPMURRZVEWZEPP-UHFFFAOYSA-N- Molecular formula
- C7H6FNO2
- Average molar mass
- 155.13 g/mol
- Monoisotopic mass
- 155.0382566
Names & identifiers
- Preferred name
- 1-Fluoro-3-methyl-5-nitrobenzene
- IUPAC
- 1-fluoro-3-methyl-5-nitrobenzene
- English name
- 3-Fluoro-5-nitrotoluene
- Molecular formula
- C7H6FNO2
- Molecular weight
- 155.13
Names & synonyms
499-08-11-fluoro-3-methyl-5-nitrobenzeneDTXSID30567752RefChem:230543DTXCID705185263-Fluoro-5-nitrotolueneMFCD06797943Benzene, 1-fluoro-3-methyl-5-nitro-SCHEMBL3844920CL8833AKOS005145651AC-9831
Show more names
5-FLUORO-3-NITROTOLUENE2-amino-5-fluoro-3-nitrotoluene
SY017739EN300-560101-fluoro-3-methyl-5-nitro-benzene1-fluoranyl-3-methyl-5-nitro-benzene5-Nitro-3-fluorotolueneA7419FT-0601356A827890
Database identifiers
- CAS
499-08-1- PubChem CID
- 15065244
- DTXSID
DTXSID30567752- EC Number
- 160-794-0
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 40 · 40.0-40.5 °C(Solv: water (7732-18-5); methanol (67-56-1))
- Boiling point
- 230 · 230.0±20.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- Crystalline Solid
- color
- Yellow
- InChI
- InChI=1S/C7H6FNO2/c1-5-2-6(8)4-7(3-5)9(10)11/h2-4H,1H3
- InChIKey
- IPMURRZVEWZEPP-UHFFFAOYSA-N
- SMILES
- C1(F)=CC([N+]([O-])=O)=CC(C)=C1
- CAS DataBase Reference
- 499 · 499-08-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- HS Code
- 2904990090 · 2904990090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2904990090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Uses3-Fluoro-5-nitrotoluene is mainly used as an intermediate in the pharmaceutical, chemical and material industries, especially in the synthesis of certain drugs and pesticide products.
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [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]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海赫文斯化工有限公司15721252604 17321035817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
3 records
Compound notes
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