Basic information
- CAS
1551365-62-8- Standard SMILES
O=C(O)c1cc(Cl)ccc1C(F)F- InChIKey
CWBCRDIQYKBTEP-UHFFFAOYSA-N- Molecular formula
- C8H5ClF2O2
- Average molar mass
- 206.57 g/mol
- Monoisotopic mass
- 205.9946134
Names & identifiers
- Preferred name
- 5-Chloro-2-(difluoromethyl)benzoic acid
- IUPAC
- 5-chloro-2-(difluoromethyl)benzoic acid
- English name
- 5-chloro-2-(difluoromethyl)benzoic acid
- Molecular formula
- C8H5ClF2O2
- Molecular weight
- 206.57
Names & synonyms
5-Chloro-2-(difluoromethyl)benzoic acid1551365-62-8RefChem:534464974-100-6CS-0096663D75756EN300-6509639Benzoic acid, 5-chloro-2-(difluoromethyl)-
Database identifiers
- CAS
1551365-62-8- PubChem CID
- 83854635
- EC Number
- 974-100-6
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 302.5 · 302.5±42.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.36(Predicted)
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, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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