Basic information
- CAS
21086-33-9- Standard SMILES
COc1ccc(C(=O)C(C)Br)cc1- InChIKey
QNCDPGOJVGDTAN-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 2-Bromo-1-(4-methoxyphenyl)propan-1-one
- IUPAC
- 2-bromo-1-(4-methoxyphenyl)propan-1-one
- English name
- 4-METHOXY-BETA-BROMOPROPIOPHENONE
- Molecular formula
- C10H11BrO2
- Molecular weight
- 243.1
Names & synonyms
2-bromo-1-(4-methoxyphenyl)propan-1-oneDTXSID70305736RefChem:465962DTXCID80256866871-557-221086-33-92-bromo-1-(4-methoxyphenyl)-1-propanone1-Propanone, 2-bromo-1-(4-methoxyphenyl)-MFCD007907692-bromo-4'-methoxypropiophenone2-bromo-1-(4-methoxy-phenyl)-propan-1-one4-METHOXY-BETA-BROMOPROPIOPHENONE
Show more names
2-bromo-4-methoxypropiophenone1-Propanone,2-broMo-1-(4-Methoxyphenyl)-1-(4-methoxy--phenyl-)-2-bromo-propan-one
4'-Methoxy-2-bromopropiophenoneNSC171557SCHEMBL585274p-methoxy-2-bromopropiophenonealpha-bromo-p-methoxypropiophenoneQNCDPGOJVGDTAN-UHFFFAOYSA-NDTXSID001344417WAA08633
Database identifiers
- CAS
21086-33-9- PubChem CID
- 299102
- DTXSID
DTXSID70305736- EC Number
- 871-557-2
- Nikkaji
- J693.554K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 66 · 66-67 °C
- Boiling point
- 313.3 · 313.3±17.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- form
- solid
- InChI
- 1S/C10H11BrO2/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3
- InChIKey
- QNCDPGOJVGDTAN-UHFFFAOYSA-N
- SMILES
- O=C(C(C)Br)C(C=C1)=CC=C1OC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- WGK Germany
- 3 · WGK 3
- HS Code
- 2914790090 · 2914790090
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 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 Corr. 1B (50%)
Safety data
- wgk
- WGK 3
- hs_code
- 2914790090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 8A - Combustible corrosive hazardous materials
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P280-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers14 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
南京友杰医药科技有限公司18860950986 · [email protected]
越林试剂021-62960152 · [email protected]
杭州洁汉化工有限公司
Related reactions
15 records
Compound notes
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