Basic information
- CAS
19398-47-1- Standard SMILES
OC(CBr)CCBr- InChIKey
PSSRAPMBSMSACN-UHFFFAOYSA-N- Molecular formula
- C4H8Br2O
- Average molar mass
- 231.91 g/mol
- Monoisotopic mass
- 229.89419
Names & identifiers
- Preferred name
- 1,4-Dibromo-2-butanol
- IUPAC
- 1,4-dibromobutan-2-ol
- English name
- 1,4-Dibromo-2-butanol
- Molecular formula
- C4H8Br2O
- Molecular weight
- 231.91
Names & synonyms
1,4-Dibromo-2-butanol19398-47-12-BUTANOL, 1,4-DIBROMO-EINECS 243-029-6NSC 84192BRN 17338314-01-00-01581 (Beilstein Handbook Reference)RefChem:73207PSSRAPMBSMSACN-UHFFFAOYSA-N1,4-Dibromobutan-2-olMFCD000002521 4-DIBROMO-2-HYDROXYBUTANE
Show more names
TIMTEC-BB SBB007842,4-DIBROMO-2-BUTANOL1 4-DIBROMOBUTAN-2-OL1,4-Dibromobutane-2-ol1,4-Dibromo-2-butanol>1 4-DIBROMOBUTAN-2-OL 97%
1,4-Dibromo-butan-2-olBR16371360729-08-3NSC841922-Butanol,4-dibromo-1,4-dibromo-2-butanoWLN: E2YQ1ESCHEMBL422142
Database identifiers
- CAS
19398-47-1- PubChem CID
- 29570
- DTXSID
DTXSID201319034- EC Number
- 243-029-6
- Nikkaji
- J42.081F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 40
Physicochemical properties
- Boiling point
- 114 · 114-115 °C/13 mmHg (lit.)
- Density
- 2.001 g/mL · 2.001 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.544(lit.)
- Flash point
- 113 °C · 113 °C
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 13.3 · 13.30±0.20(Predicted)
- color
- Light yellow to Brown
- InChI
- 1S/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H2
- InChIKey
- PSSRAPMBSMSACN-UHFFFAOYSA-N
- SMILES
- OC(CBr)CCBr
- CAS DataBase Reference
- 19398 · 19398-47-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 341 · H341
- Precautionary statements
- 501 · P501-P202-P201-P280-P308+P313-P405
- PPE
- Eyeshields, Gloves
- WGK Germany
- 3 · 3
- RTECS
- 1515000 · EL1515000
- HS Code
- 2905599890 · 2905599890
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
GHS classification
GHS Classification
Warning
H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesMuta. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- rtecs
- EL1515000
- hs_code
- 2905599890
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H341
- Precautionary statements
- P501-P202-P201-P280-P308+P313-P405
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers43 total
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Related reactions
29 records
Compound notes
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