Basic information
- CAS
5221-17-0- Standard SMILES
O=CC(Br)CBr- InChIKey
ZMDDOWQHSDJXDW-UHFFFAOYSA-N- Molecular formula
- C3H4Br2O
- Average molar mass
- 215.87 g/mol
- Monoisotopic mass
- 213.86289
Names & identifiers
- Preferred name
- 2,3-Dibromopropanal
- IUPAC
- 2,3-dibromopropanal
- English name
- 3,5-Di-t-butyl-4-methoxybenzaldehyde
- Molecular formula
- C3H4Br2O
- Molecular weight
- 215.87
Names & synonyms
2,3-Dibromopropanal5221-17-0Acrolein dibromidePropanal, 2,3-dibromo-2,3-DibromopropionaldehydePropionaldehyde, 2,3-dibromo-4960NRU9EENSC-6737DTXSID3041322RefChem:815692,3-dibromopropyl aldehydeDTXCID1021322
Show more names
2,3-dibromo-propana2,3-dibromo propanlDibromopropionaldehyde2,3-dibromo-propionaldehyd3,5-Di-t-butyl-4-methoxybenzaldehyde
226-017-5Dibromopropanal2,3-DibromopropionalCCRIS 5477NSC 6737EINECS 226-017-5BRN 1700027UNII-4960NRU9EE
Database identifiers
- CAS
5221-17-0- PubChem CID
- 92216
- DTXSID
DTXSID3041322- UNII
- 4960NRU9EE
- EC Number
- 226-017-5
- Nikkaji
- J15.127K
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46
Physicochemical properties
- Boiling point
- 153.1 °C · 153.1°C (rough estimate)
- Density
- 2.192 · 2.1920
- refractive index
- 1.5082 · 1.5082 (estimate)
- InChI
- InChI=1S/C3H4Br2O/c4-1-3(5)2-6/h2-3H,1H2
- InChIKey
- ZMDDOWQHSDJXDW-UHFFFAOYSA-N
- SMILES
- C(=O)C(Br)CBr
- FDA 21 CFR
- 176.3 · 176.300
- Indirect Additives used in Food Contact Substances
- 2 · 2,3-DIBROMOPROPIONALDEHYDE
- FDA UNII
- 4960 NRU9EE · 4960NRU9EE
- EPA Substance Registry System
- 2 · 2,3-Dibromopropanal (5221-17-0)
Chemistry & industry
Applications
Uses3,5-DI-T-BUTYL-4-METHOXYBENZALDEHYDE is used in the production of the antitumor drug methotrexate, and also as an intermediate in other organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers19 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
常州四渡化工有限公司0519-81291281 18015082300
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Related reactions
1 records
Compound notes
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