Basic information
- CAS
934001-46-4- Standard SMILES
CCCCCCCCCCCCOC(=O)C(C)(C)Br- InChIKey
TUPZPNIRCIQNLF-UHFFFAOYSA-N- Molecular formula
- C16H31BrO2
- Average molar mass
- 335.32 g/mol
- Monoisotopic mass
- 334.15074
Names & identifiers
- Preferred name
- Dodecyl 2-bromo-2-methylpropanoate
- IUPAC
- dodecyl 2-bromo-2-methylpropanoate
- English name
- Dodecyl 2-broMoisobutyrate
- Molecular formula
- C16H31BrO2
- Molecular weight
- 335.32
Names & synonyms
934001-46-4dodecyl 2-bromo-2-methylpropanoateDTXSID50621507RefChem:339492DTXCID90572261Dodecyl 2-bromoisobutyrateSCHEMBL650595Propanoic acid, 2-bromo-2-methyl-, dodecyl ester
Database identifiers
- CAS
934001-46-4- PubChem CID
- 22015114
- DTXSID
DTXSID50621507- EC Number
- 687-402-5
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 318.3 · 318.3±10.0 °C(Predicted)
- Density
- 1.058 g/mL · 1.058 g/mL at 25 °C
- refractive index
- 20 · n20/D1.455
- Flash point
- 110 ℃ · >110℃
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 3 · 3
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 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
- wgk
- 3
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…