Basic information
- CAS
95299-16-4- Standard SMILES
COC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
URDXSDHDNSBKHI-UHFFFAOYSA-N- Molecular formula
- C11H8F6O2
- Average molar mass
- 286.17 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetate
- IUPAC
- methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetate
- English name
- methyl 2-(3,5-bis(trifluoromethyl)phenyl)acetate
- Molecular formula
- C11H8F6O2
- Molecular weight
- 286.17
Names & synonyms
95299-16-4Methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetatemethyl 2-(3,5-bis(trifluoromethyl)phenyl)acetateBenzeneacetic acid, 3,5-bis(trifluoromethyl)-, methyl esterMFCD12025301Netupitant Impurity I3,5-Bis(trifluoromethyl)-benzeneacetic acid methyl ester3,5-Bis(trifluoromethyl)phenyl acetic acid methyl esterMethyl 3,5-bis(trifluoromethyl)phenylacetateMethyl 3,5-Bis(trifluoromethyl)benzeneacetate3,5-bis-trifluoromethylphenylacetic acid methyl esterSCHEMBL1296063
Show more names
Netupitant Impurity 31Elinzanetant Impurity 8methyl [3,5-bis(trifluoromethyl)-phenyl]-acetate3,5-bis(trifluoromethyl)phenyl acetic acid methyl
SCHEMBL5779119Y5E9L8J7Y7DA-00243SY285053CS-0315358methyl 3,5-bis(triflouromethyl)phenylacetateMethyl 2-(3,5-ditrifluoromethylphenyl)acetateE83631
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 199.1 · 199.1±35.0 °C(Predicted)
- Density
- 1.367 · 1.367
- storage temp.
- Store at Room Tem.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers19 total
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
湖北摩科生物科技有限公司18576690171 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]
成都爱斯特化学技术有限公司15928766785 15928766785 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
湖州浦瑞生物医药技术有限公司+86-0572-2745768 +86-13816075732 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
湖北摩科生物科技有限公司
Related reactions
27 records
Compound notes
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