1-Bromo-5-fluoro-2-methyl-4-nitrobenzene
Basic information
- CAS
64695-96-1- Standard SMILES
Cc1cc([N+](=O)[O-])c(F)cc1Br- InChIKey
RYWJXYWJUJFEMD-UHFFFAOYSA-N- Molecular formula
- C7H5BrFNO2
- Average molar mass
- 234.02 g/mol
- Monoisotopic mass
- 232.94877
Names & identifiers
- Preferred name
- 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene
- IUPAC
- 1-bromo-5-fluoro-2-methyl-4-nitrobenzene
- English name
- 1-broMo-5-fluoro-2-Methyl-4-nitrobenzene
- Molecular formula
- C7H5BrFNO2
- Molecular weight
- 234.02
Names & synonyms
64695-96-11-BROMO-5-FLUORO-2-METHYL-4-NITROBENZENEDTXSID20695159RefChem:228640DTXCID30645908801-275-72-Bromo-4-fluoro-5-nitrotolueneMFCD118476361-Bromo-5-fluoro-2-methyl-4-nitro-benzeneBenzene, 1-bromo-5-fluoro-2-methyl-4-nitro-SCHEMBL1770875AMY14514
Show more names
1-broMo-5-fluoro-2-Methyl-4-nitr2-Bromo-4-fluor-5-nitrotoluene
SCHEMBL29399641PCA69596AKOS015999607Bromo-5-fluoro-2-methyl-4-nitrobenzeneAC-29715AS-33269SY022910DB-313678
Database identifiers
- CAS
64695-96-1- PubChem CID
- 53403286
- DTXSID
DTXSID20695159- EC Number
- 801-275-7
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 287.8 · 287.8±35.0 °C(Predicted)
- Density
- 1.696 · 1.696±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C7H5BrFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3
- InChIKey
- RYWJXYWJUJFEMD-UHFFFAOYSA-N
- SMILES
- C1(Br)=CC(F)=C([N+]([O-])=O)C=C1C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H312-H335-H332
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H312-H335-H332
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
6 records
Compound notes
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