Basic information
- CAS
1260640-04-7- Standard SMILES
O=[N+]([O-])c1cc(F)c(CBr)cc1F- InChIKey
OMRVJTGLMGTMBA-UHFFFAOYSA-N- Molecular formula
- C7H4BrF2NO2
- Average molar mass
- 252.01 g/mol
Names & identifiers
- Preferred name
- 1-(Bromomethyl)-2,5-difluoro-4-nitrobenzene
- IUPAC
- 1-(bromomethyl)-2,5-difluoro-4-nitrobenzene
- English name
- 1-(bromomethyl)-2,5-difluoro-4-nitrobenzene
- Molecular formula
- C7H4BrF2NO2
- Molecular weight
- 252.01
Names & synonyms
1260640-04-71-(bromomethyl)-2,5-difluoro-4-nitrobenzeneRefChem:427211963-141-52,5-DIFLUORO-4-NITROBENZYL BROMIDESCHEMBL1869106OMRVJTGLMGTMBA-UHFFFAOYSA-NKAC64004EN300-1896632Benzene, 1-(bromomethyl)-2,5-difluoro-4-nitro-
Database identifiers
- CAS
1260640-04-7- PubChem CID
- 53403397
- EC Number
- 963-141-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 310.5 · 310.5±37.0 °C(Predicted)
- Density
- 1.81 · 1.810±0.06 g/cm3(Predicted)
- HS Code
- 2902900000 · 2902900000
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2902900000
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
2 records
Compound notes
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