Basic information
- CAS
186517-29-3- Standard SMILES
O=Cc1c(C(F)(F)F)ccc(Cl)c1F- InChIKey
WTVMLHFHFBCCBP-UHFFFAOYSA-N- Molecular formula
- C8H3ClF4O
- Average molar mass
- 226.55 g/mol
- Monoisotopic mass
- 225.9808551
Names & identifiers
- Preferred name
- 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde
- IUPAC
- 3-chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde
- English name
- 3-CHLORO-2-FLUORO-6-(TRIFLUOROMETHYL)BENZALDEHYDE
- Molecular formula
- C8H3ClF4O
- Molecular weight
- 226.56
Names & synonyms
3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde186517-29-3DTXSID20353000RefChem:278156DTXCID90304064620-804-05-Chloro-α,α,α,6-tetrafluoro-o-tolualdehydeMFCD01631343Benzaldehyde, 3-chloro-2-fluoro-6-(trifluoromethyl)-SCHEMBL613749SCHEMBL30480764SBB003314
Show more names
TIMTEC-BB SBB0033145-chloro-6,α,α,α-tetrafluoro-o-to3-CHLORO-2-FLUORO-6-(TRIFLUOROMETHYL) &4-Chloro-3-fluoro-2-formylbenzotrifluoride6-tert-butyl-3-chloro-2-fluorobenzaldehyde5-chloro-6,α,α,α-tetrafluoro-o-tolualdehyde2-Fluoro-3-methoxy-6-(trifluoromethyl)benzaldehyde3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde, 97+%
AKOS015848472JS-4169ST102232DB-044606CS-0313263ST51021122A12181
Database identifiers
- CAS
186517-29-3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Boiling point
- 214 °C · 214 °C(lit.)
- Density
- 1.53 g/mL · 1.53 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.483(lit.)
- Flash point
- 220 °F · 220 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- color
- Clear, almost colourless
- Sensitive
- Air Sensitive
- CAS DataBase Reference
- 186517 · 186517-29-3(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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 44 reports by companies from 4 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
- 2913000090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers36 total
安徽合诺生物科技有限公司0555-2761852
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
南京代盟化工有限公司02566880956 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
Related reactions
4 records
Compound notes
Loading…