1,2-Dibromo-3,3-dimethylbutane
Basic information
- CAS
640-21-1- Standard SMILES
CC(C)(C)C(Br)CBr- InChIKey
WNIGXZWEUAJOHE-UHFFFAOYSA-N- Molecular formula
- C6H12Br2
- Average molar mass
- 243.97 g/mol
- Monoisotopic mass
- 241.93058
Names & identifiers
- Preferred name
- 1,2-Dibromo-3,3-dimethylbutane
- IUPAC
- 1,2-dibromo-3,3-dimethylbutane
- English name
- 1,2-Dibromo-3,3-dimethylbutane
- Molecular formula
- C6H12Br2
- Molecular weight
- 243.97
Names & synonyms
1,2-Dibromo-3,3-dimethylbutane640-21-1DTXSID70311892RefChem:71818DTXCID40263016613-415-21,2-dibromo-3,3-dimethyl-butaneNSC246202SCHEMBL4055377MFCD00075421AKOS005259149NSC-246202
Show more names
3,3-DIMETHYL-1,2-DIBROMOBUTANEButane, 1,2-dibromo-3,3-dimethyl-
NS00009787
Database identifiers
- CAS
640-21-1- PubChem CID
- 317067
- DTXSID
DTXSID70311892- EC Number
- 613-415-2
- Nikkaji
- J79.775H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 63.4
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Boiling point
- 73 °C3 · 73 °C3 mm Hg(lit.)
- Density
- 1.61 g/mL · 1.61 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5053(lit.)
- Flash point
- 183 °F · 183 °F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H335-H319-H332-H302-H315
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
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, P317, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 1,2-dibromo-3,3-dimethylbutane (EC: 613-415-2)
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard statements
- H312-H335-H319-H332-H302-H315
- REACH Registrations
- Active
- Precautionary statements
- P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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