2,3-Difluoro-4-methylbenzaldehyde
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Basic information
- CAS
245536-50-9- Standard SMILES
Cc1ccc(C=O)c(F)c1F- InChIKey
YCTVOFSIRYUUAN-UHFFFAOYSA-N- Molecular formula
- C8H6F2O
- Average molar mass
- 156.13 g/mol
- Monoisotopic mass
- 156.03867113
Names & identifiers
- Preferred name
- 2,3-Difluoro-4-methylbenzaldehyde
- IUPAC
- 2,3-difluoro-4-methylbenzaldehyde
- English name
- 2,3-DIFLUORO-4-METHYLBENZALDEHYDE
- Molecular formula
- C8H6F2O
- Molecular weight
- 156.13
Names & synonyms
2,3-Difluoro-4-methylbenzaldehyde245536-50-9DTXSID50378903RefChem:244650DTXCID50329930MFCD016316442,3-Difluoro-4-Methyl-Benzaldehydebenzaldehyde, 2,3-difluoro-4-methyl-2,4-Difluoro-P-tolualdehydeSCHEMBL154414AKOS005258406PS-8841
Show more names
2,3-Difluoro-p-tolualdehyde2,4-Difluoro-3-methylbenzaldehyde CASBenzaldehyde, 2,3-difluoro-4-methyl- (9CI)2,3-Difluoro-p-tolualdehyde, 2,3-Difluoro-4-formyltoluene
BP-21344SCHEMBL5535005SBB064653CS-01060SY109369DB-046482CS-0106069ST50824558
Database identifiers
- CAS
245536-50-9- PubChem CID
- 2774136
- DTXSID
DTXSID50378903- EC Number
- 670-749-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 204.2 · 204.2±35.0 °C(Predicted)
- Density
- 1.241 · 1.241±0.06 g/cm3(Predicted)
- refractive index
- 1.5075 · 1.5075
- storage temp.
- 2 · 2-8°C
- form
- low melting solid
- color
- White
- Sensitive
- Air Sensitive
- CAS DataBase Reference
- 245536 · 245536-50-9(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36-45
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 (16.7%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- hs_code
- 2913000090
- risk_code
- 36/37/38-25
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- safety_code
- 26-36-45
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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