Basic information
- CAS
360575-28-6- Standard SMILES
O=Cc1c(F)cccc1Br- InChIKey
PJNILWKRAKKEQM-UHFFFAOYSA-N- Molecular formula
- C7H4BrFO
- Average molar mass
- 203.01 g/mol
- Monoisotopic mass
- 201.94295507
Names & identifiers
- Preferred name
- 2-Bromo-6-fluorobenzaldehyde
- IUPAC
- 2-bromo-6-fluorobenzaldehyde
- English name
- 2-Bromo-6-fluorobenzaldehyde
- Molecular formula
- C7H4BrFO
- Molecular weight
- 203.01
Names & synonyms
2-bromo-6-fluorobenzaldehyde360575-28-6DTXSID90625903RefChem:257460DTXCID20576656675-097-12-bromo-6-fluoro-benzaldehyde6-bromo-2-fluorobenzaldehydeC7H4BrFOMFCD03407341Benzaldehyde, 2-bromo-6-fluoro-2-Bromo-6-fluorobenzaldehyde, 96%
Show more names
2-Bromo-6-flurobenzaldehyde2-Bromo-6-fLBenzaldehyde,2-broMo-6-fluoro-2-BroMo-6-fluorobenzaldehyde 96%2-BroMo-6-fluorobenzaldehyde, 95+%Structure Search 2-Bromo-4-fluorobenzaldehyde2-BROMO-6-FLUOROBENZALDEHYDE CAS: 360575-28-6
2-bromo-6-fluorobenzenecarbaldehydeBrexpiprazole Impurity PZ11385579112-FLUORO-6-BROMOBENZALDEHYDE6-FLUORO-2-BROMOBENZALDEHYDE2-Brom-6-fluor-benzaldehyd2-Bromo-6-fluorobenzaldehyde , 2-Fluoro-6-bromobenzaldehydeBrexpiprazole Impurity P
Database identifiers
- CAS
360575-28-6- PubChem CID
- 22473977
- DTXSID
DTXSID90625903- UNII
- 4Q6DYF8VB4
- EC Number
- 675-097-1
- Nikkaji
- J2.390.680E
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Melting point
- 43 · 43-47 °C
- Boiling point
- 100 · 100-102℃/8mm
- Density
- 1.7 · 1.70
- Flash point
- 110 ° · >110°(230°F)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chlorofrom (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- Appearance
- White to light brown Solid
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Light Sensitive
- InChI
- InChI=1S/C7H4BrFO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
- InChIKey
- PJNILWKRAKKEQM-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C(F)C=CC=C1Br
- CAS DataBase Reference
- 360575 · 360575-28-6(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- wgk
- 3
- ridadr
- UN 3335
- hs_code
- 29130000
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-36
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIt is a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
47 records
Compound notes
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