Basic information
- CAS
1426073-18-8- Standard SMILES
COc1c(Br)ccc(F)c1C#N- InChIKey
OZUSRRAXOTZOSM-UHFFFAOYSA-N- Molecular formula
- C8H5BrFNO
- Average molar mass
- 230.03 g/mol
- Monoisotopic mass
- 228.95385
Names & identifiers
- Preferred name
- 3-Bromo-6-fluoro-2-methoxybenzonitrile
- IUPAC
- 3-bromo-6-fluoro-2-methoxybenzonitrile
- English name
- 3-Bromo-6-fluoro-2-methoxybenzonitrile
- Molecular formula
- C8H5BrFNO
- Molecular weight
- 230.03
Names & synonyms
3-bromo-6-fluoro-2-methoxybenzonitrile1426073-18-8RefChem:499068847-483-1MFCD28142634SCHEMBL14720070OZUSRRAXOTZOSM-UHFFFAOYSA-N3-bromo-6-fluoro-2-methoxy-benzonitrileSY459669DB-105417CS-0194330E93409
Show more names
Benzonitrile, 3-bromo-6-fluoro-2-methoxy-
Database identifiers
- CAS
1426073-18-8- PubChem CID
- 71270710
- EC Number
- 847-483-1
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 261.2 · 261.2±35.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers10 total
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
西安奕诺生物科技有限公司18809207782 18809207782 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
天津瑾昇生物医药科技有限责任公司13820634634 18622687818 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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