Basic information
- CAS
507-42-6- Standard SMILES
OC(O)C(Br)(Br)Br- InChIKey
NJHVMXFNIZTTBV-UHFFFAOYSA-N- Molecular formula
- C2H3Br3O2
- Average molar mass
- 298.76 g/mol
- Monoisotopic mass
- 295.76832
Names & identifiers
- Preferred name
- Bromal hydrate
- IUPAC
- 2,2,2-tribromoethane-1,1-diol
- English name
- 2,2,2-tribromoethane-1,1-diol
- Molecular formula
- C2H3Br3O2
- Molecular weight
- 298.76
Names & synonyms
Bromal hydrate507-42-6Tribromoaldehyde hydrate1,1-Ethanediol, 2,2,2-tribromo-Acetaldehyde, tribromo-, hydrate1,1,1-Tribromo-2,2-ethanediolEINECS 208-073-2UNII-BQU83Q7216BRN 17369532,2,2-TRIBROMO-1,1-ETHANEDIOLBQU83Q7216BROMAL HYDRATE [MI]
Show more names
DTXSID20198751RefChem:121495DTXCID80121242208-073-24-01-00-03155 (Beilstein Handbook Reference)2,2,2-Tribromoethane-1,1-diolBromalhydratSCHEMBL8724128
Database identifiers
- CAS
507-42-6- PubChem CID
- 68181
- DTXSID
DTXSID20198751- UNII
- BQU83Q7216
- EC Number
- 208-073-2
- Nikkaji
- J9.402A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56.4
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Depressants and Tranquilizers
Physicochemical properties
- Melting point
- 53.5 ° · 53.5°
- Boiling point
- 270.2 · 270.2±35.0 °C(Predicted)
- Density
- 2.5661 · 2.5661
- refractive index
- 1.558 · 1.5580 (estimate)
- pka
- 11.35 · 11.35±0.41(Predicted)
- FDA UNII
- 83 Q7216 · BQU83Q7216
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H335-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H335-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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