Basic information
- CAS
1416980-23-8- Standard SMILES
O=Cc1ccc(CBr)c(C(F)(F)F)c1- InChIKey
XXRPWIVHTDFBQV-UHFFFAOYSA-N- Molecular formula
- C9H6BrF3O
- Average molar mass
- 267.04 g/mol
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-3-(trifluoromethyl)benzaldehyde
- IUPAC
- 4-(bromomethyl)-3-(trifluoromethyl)benzaldehyde
- English name
- 4-(Bromomethyl)-3-(trifluoromethyl)benzaldehyde
- Molecular formula
- C9H6BrF3O
- Molecular weight
- 267.04
Names & synonyms
4-(Bromomethyl)-3-(trifluoromethyl)benzaldehyde1416980-23-8MFCD28014065SCHEMBL14329422XXRPWIVHTDFBQV-UHFFFAOYSA-ND962474-bromomethyl-3-(trifluoromethyl)benzadehydeBenzaldehyde, 4-(bromomethyl)-3-(trifluoromethyl)-
Database identifiers
- CAS
1416980-23-8
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 260.1 · 260.1±35.0 °C(Predicted)
- Density
- 1.627 · 1.627±0.06 g/cm3(Predicted)
- form
- solid
- color
- Off-white
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- HS Code
- 2912290090 · 2912290090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2912290090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H335
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers6 total
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
北京依特能化学科技有限责任公司010-59484199 18611897322;18611897322 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
肇庆市万维新材料科技有限公司0755-1328880-4488 13049823633;13068786899;13288804488 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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