Basic information
- CAS
1070761-76-0- Standard SMILES
Cc1c(C(=O)O)ccc(C(F)(F)F)c1F- InChIKey
JECYHAUUPAXQEF-UHFFFAOYSA-N- Molecular formula
- C9H6F4O2
- Average molar mass
- 222.14 g/mol
Names & identifiers
- Preferred name
- 3-Fluoro-2-methyl-4-(trifluoromethyl)benzoic acid
- IUPAC
- 3-fluoro-2-methyl-4-(trifluoromethyl)benzoic acid
- English name
- 3-fluoro-2-methyl-4-(trifluoromethyl)benzoic acid
- Molecular formula
- C9H6F4O2
- Molecular weight
- 222.14
Names & synonyms
3-fluoro-2-methyl-4-(trifluoromethyl)benzoic acid1070761-76-0RefChem:501639829-412-6MFCD27980628SCHEMBL1634606SCHEMBL30634615JECYHAUUPAXQEF-UHFFFAOYSA-NVSB76176AKOS033591706AT12885SY156989
Show more names
Benzoic acid, 3-fluoro-2-methyl-4-(trifluoromethyl)-
EN300-1385943-fluoro-2-methyl-4-trifluoromethylbenzoic acid3-fluoro-2-methyl-4-(trifluoromethyl)benzoicacidZ1692483343
Database identifiers
- CAS
1070761-76-0- PubChem CID
- 57457765
- EC Number
- 829-412-6
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- 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
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
苏州施亚生物科技有限公司17715136450 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
Loading…