2,3-Dibromo-1,4-butanediol
Basic information
- CAS
1947-58-6- Standard SMILES
OCC(Br)C(Br)CO- InChIKey
OXYNQEOLHRWEPE-UHFFFAOYSA-N- Molecular formula
- C4H8Br2O2
- Average molar mass
- 247.91 g/mol
Names & identifiers
- Preferred name
- 2,3-Dibromo-1,4-butanediol
- IUPAC
- 2,3-dibromobutane-1,4-diol
- English name
- Dibenzyl succinate
- Molecular formula
- C4H8Br2O2
- Molecular weight
- 247.91
Names & synonyms
2,3-Dibromo-1,4-butanediolRefChem:441962631-543-72,3-Dibromobutane-1,4-diol1947-58-620163-90-01,4-Butanediol, d,l-2,3-dibromo-MFCD000115491,4-BUTANEDIOL, 2,3-DIBROMO-, (+,-)-dl-2,3-Dibromo-1,4-butanediol1,4-Butanediol, 2,3-dibromo-, (R*,R*)-(.+/-.)-BRN 1719778
Show more names
SPASMINEBENZYL SUCCINATEDibenzyl succinateTIMTEC-BB SBB006245SUCCINIC ACID DIBENZYL ESTER
EINECS 217-750-11,4-Butanediol, 2,3-dibromo-(R*,R*)-(1)-2,3-Dibromobutane-1,4-diol4-01-00-02522 (Beilstein Handbook Reference)SCHEMBL3738232,3-Dibromo-1,4-butanediol #SBB0708732,3-Dibromo-1,4-butanediol, 99%
Database identifiers
- CAS
1947-58-6、20163-90-0- PubChem CID
- 16041
- EC Number
- 217-750-1、631-543-7、927-856-6
- Nikkaji
- J102.887A
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52
Physicochemical properties
- Melting point
- 88 · 88-90 °C(lit.)
- Boiling point
- 148 · 148-150 °C1.5 mm Hg(lit.)
- Density
- 1 · 1,256 g/cm3
- refractive index
- 1.523 · 1.5230 (estimate)
- Flash point
- 148 · 148-150°C/1.5mm
- solubility
- Insoluble in wafer. soluble in alcohol and oils.
- form
- Solid
- color
- White
- Odor
- Practically odorless when pure.
- FDA UNII
- 14 UG55AV · CK14UG55AV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety data
- wgk
- 2
- rtecs
- EK1575000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesDibenzyl Succinate is an constituent in the synthesis of Succinobucol (S688775), an antioxidant and anti-inflammatory substance. It has been suggested as a solvent/blender/ fixative in perfume compositions. However, it does not seem to offer very substantial advantages over Diethyl phthalate or other odorless solvents, available at very low cost.
Preparation methods
PreparationDibenzyl Succinate is produced by direct esterification of Benzyl alcohol with Succinic acid under azeotropic conditions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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