Basic information
- CAS
127842-71-1- Standard SMILES
O=C(O)C=Cc1ccccc1OC(F)F- InChIKey
KLWSPVZYBMMDBR-UHFFFAOYSA-N- Molecular formula
- C10H8F2O3
- Average molar mass
- 214.16 g/mol
- Monoisotopic mass
- 214.04415044
Names & identifiers
- Preferred name
- 3-(2-Difluoromethoxy-phenyl)-acrylic acid
- IUPAC
- 3-[2-(difluoromethoxy)phenyl]prop-2-enoic acid
- English name
- 3-[2-(Difluoromethoxy)phenyl]acrylic acid
- Molecular formula
- C10H8F2O3
- Molecular weight
- 214.17
Names & synonyms
3-(2-Difluoromethoxy-phenyl)-acrylic acidDTXSID40398938RefChem:273658DTXCID30349797127842-71-13-[2-(difluoromethoxy)phenyl]prop-2-enoic AcidSCHEMBL1536374KLWSPVZYBMMDBR-UHFFFAOYSA-NAKOS030254150(E)-3-(2-(difluoromethoxy)phenyl)acrylic acid(E)-3-[2-(Difluoromethoxy)phenyl]prop-2-enoic acid(2e)-3-[2-(difluoromethoxy)phenyl]prop-2-enoic acid
Show more names
2-Propenoic acid, 3-[2-(difluoromethoxy)phenyl]-, (E)- (9CI)
Database identifiers
- CAS
127842-71-1- PubChem CID
- 4064754
- DTXSID
DTXSID40398938- EC Number
- 879-318-4
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 163 · 163-164 °C(Solv: water (7732-18-5))
- Boiling point
- 319.4 · 319.4±37.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers6 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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