Basic information
- CAS
936494-74-5- Standard SMILES
OCC(CO)(CO)c1ccc(Br)cc1- InChIKey
PTFBRTJXVDPNFS-UHFFFAOYSA-N- Molecular formula
- C10H13BrO3
- Average molar mass
- 261.11 g/mol
- Monoisotopic mass
- 260.00481
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-(hydroxymethyl)propane-1,3-diol
- IUPAC
- 2-(4-bromophenyl)-2-(hydroxymethyl)propane-1,3-diol
- English name
- 2-(4-Bromophenyl)-2-(hydroxymethyl)propane-1,3-diol
- Molecular formula
- C10H13BrO3
- Molecular weight
- 261.11
Names & synonyms
2-(4-BROMOPHENYL)-2-(HYDROXYMETHYL)PROPANE-1,3-DIOL936494-74-5MFCD11850046SCHEMBL2672720DTXSID00693274PTFBRTJXVDPNFS-UHFFFAOYSA-NAKOS015891227AS-68844SY395661DB-103614W18503F818629
Show more names
1,3-Propanediol, 2-(4-bromophenyl)-2-(hydroxymethyl)-2-(4-Bromophenyl)-1,3-dihydroxy-2-(hydroxymethyl)propane
Database identifiers
- CAS
936494-74-5- PubChem CID
- 53301993
- DTXSID
DTXSID00693274
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 441.2 · 441.2±40.0 °C(Predicted)
- Density
- 1.584 · 1.584±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.54 · 13.54±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers17 total
南京爱珂医药科技有限公司025-58395930 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
天津安浩生物科技有限公司[email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海志信生物医药科技有限公司18701958033 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Related reactions
1 records
Compound notes
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