Basic information
- CAS
261951-89-7- Standard SMILES
COc1ccc(CBr)cc1C(F)(F)F- InChIKey
FZICFAROPYFJMF-UHFFFAOYSA-N- Molecular formula
- C9H8BrF3O
- Average molar mass
- 269.06 g/mol
- Monoisotopic mass
- 267.97106164
Names & identifiers
- Preferred name
- 4-Methoxy-3-(trifluoromethyl)benzyl bromide
- IUPAC
- 4-(bromomethyl)-1-methoxy-2-(trifluoromethyl)benzene
- English name
- 4-Methoxy-3-(trifluoromethyl)benzyl bromide
- Molecular formula
- C9H8BrF3O
- Molecular weight
- 269.06
Names & synonyms
4-Methoxy-3-(trifluoromethyl)benzyl bromide261951-89-74-(bromomethyl)-1-methoxy-2-(trifluoromethyl)benzeneMFCD01631578Benzene, 4-(bromomethyl)-1-methoxy-2-(trifluoromethyl)-4-bromomethyl-1-methoxy-2-trifluoromethyl-benzeneSCHEMBL4780214 - Methoxy - 3 - (trifluoromethyl)benzyl bromide4-(bromomethyl)-2-(trifluoromethyl)phenyl methyl etherSCHEMBL29783248DTXSID80379509SBB070915
Show more names
4-Methoxy-3-(trifluoroMethyl)benzyl3-trifluoromethyl-4-methoxybenzyl bromide
AKOS009158501PS-99154-methoxy-3-trifluoromethyl benzylbromideEN300-1938341F005832
Database identifiers
- CAS
261951-89-7- PubChem CID
- 2775302
- DTXSID
DTXSID80379509- EC Number
- 679-142-6
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- Melting point
- 75 · 75-78°C
- Boiling point
- 252.5 · 252.5±40.0℃ (760 Torr)
- Density
- 1.524 · 1.524±0.06 g/cm3 (20 ºC 760 Torr)
- Flash point
- 130.2 · 130.2±11.6℃
- solubility
- Sparingly Soluble (0.16 g/L) (25°C).
- form
- crystalline solid
- color
- White to off-white
- Sensitive
- Light Sensitive
- CAS DataBase Reference
- 261951 · 261951-89-7
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P309-P310
- RIDADR
- 3261 · UN3261
- HazardClass
- 8 · 8
- PackingGroup
- III
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Safety data
- ridadr
- UN3261
- hs_code
- 2909309090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314-H318
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P280-P305+P351+P338-P309-P310
Chemistry & industry
Applications
UsesAs organic intermediate, pharmaceutical intermediate. In chemical synthesis.
Suppliers56 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Aladdin Scientific[email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
Related reactions
13 records
Compound notes
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