Tetradecanoic acid, 2-bromo-, methyl ester
Basic information
- CAS
16631-25-7- Standard SMILES
CCCCCCCCCCCCC(Br)C(=O)OC- InChIKey
NTDPLPAGWMERRU-UHFFFAOYSA-N- Molecular formula
- C15H29BrO2
- Average molar mass
- 321.29 g/mol
- Monoisotopic mass
- 320.13509
Names & identifiers
- Preferred name
- Tetradecanoic acid, 2-bromo-, methyl ester
- IUPAC
- methyl 2-bromotetradecanoate
- English name
- Methyl 2-bromotetradecanoate
- Molecular formula
- C15H29BrO2
- Molecular weight
- 321.29
Names & synonyms
Methyl 2-bromotetradecanoateMethyl 2-bromomyristateTetradecanoic acid, 2-bromo-, methyl esterEINECS 240-687-6DTXSID00884923RefChem:188501DTXCID601024342240-687-6NTDPLPAGWMERRU-UHFFFAOYSA-N16631-25-7Methyl alpha-Bromo MyristateMFCD00129744
Show more names
MyristateMethyl α-Bromo Myristate
2-bromotetradecanoic acid methyl esterMethyl 2-Bromo-1-tetradecanoateMethyl ?-Bromo Myristatetetradecanoic acid bromo esterSCHEMBL77603632-Bromomyristic acid methyl esterAKOS015917683BS-49127
Database identifiers
- CAS
16631-25-7- PubChem CID
- 86045
- DTXSID
DTXSID00884923- EC Number
- 240-687-6
- Nikkaji
- J318.274F
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
- 18
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 149 °C · 149 °C(Press: 0.9998 Torr)
- Density
- 1.095 · 1.095
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- Chloroform, Dichloromethane, Ethyl Acetate
- form
- Oil
- color
- Yellow
- Specific Gravity
- 1.06 · 1.06
- CAS DataBase Reference
- 16631 · 16631-25-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 2 · Methyl 2-bromomyristate (16631-25-7)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H410
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H410
- Precautionary statements
- P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationTetradecanoic acid, 2-bromo-, methyl ester: ACTIVE
Applications
UsesMethyl α-Bromo Myristate (cas# 16631-25-7) is a compound useful in organic synthesis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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