Basic information
- CAS
259196-40-2- Standard SMILES
O=Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1- InChIKey
BDUFOVWZBTVLPY-UHFFFAOYSA-N- Molecular formula
- C12H6ClF3O2
- Average molar mass
- 274.62 g/mol
- Monoisotopic mass
- 274.00084177
Names & identifiers
- Preferred name
- 5-[2-Chloro-5-(trifluoromethyl)phenyl]furfural
- IUPAC
- 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
- English name
- 5-[2-Chloro-5-(trifluoromethyl)phenyl]furfural
- Molecular formula
- C12H6ClF3O2
- Molecular weight
- 274.62
Names & synonyms
5-[2-Chloro-5-(trifluoromethyl)phenyl]furfural5-(2-chloro-5-(trifluoromethyl)phenyl)furfuralRefChem:529333685-905-4259196-40-25-[2-Chloro-5-(trifluoromethyl)phenyl]-2-furaldehyde5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde5-(2-Chloro-5-(trifluoromethyl)phenyl)furan-2-carbaldehydeMFCD002742422-Furancarboxaldehyde, 5-[2-chloro-5-(trifluoromethyl)phenyl]-SCHEMBL4030956SCHEMBL6009742
Show more names
ZINC00057023447765_ALDRICH5-(2-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)F&Furane-2-carboxaldehyde, 5-(2-chloro-5-trifluoromethylphenyl)-2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furanyl]acetaldehyde
CHEMBL4563558DTXSID80347607ALBB-026840BBL007666SBB003032STK293229AKOS000108251NCGC00338967-01
Database identifiers
- CAS
259196-40-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 59 · 59-63 °C(lit.)
- Boiling point
- 336.5 · 336.5±42.0 °C(Predicted)
- Density
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- InChI
- 1S/C12H6ClF3O2/c13-10-3-1-7(12(14,15)16)5-9(10)11-4-2-8(6-17)18-11/h1-6H
- InChIKey
- BDUFOVWZBTVLPY-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(Cl)c(c1)-c2ccc(C=O)o2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
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)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 2932190090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers14 total
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
泰迩生物医药泰州有限公司052386810091 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
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