Basic information
- CAS
112-71-0- Standard SMILES
CCCCCCCCCCCCCCBr- InChIKey
KOFZTCSTGIWCQG-UHFFFAOYSA-N- Molecular formula
- C14H29Br
- Average molar mass
- 277.28 g/mol
- Monoisotopic mass
- 276.14526303
Names & identifiers
- Preferred name
- Myristyl bromide
- IUPAC
- 1-bromotetradecane
- English name
- 1-Bromotetradecane
- Molecular formula
- C14H29Br
- Molecular weight
- 277.28
Names & synonyms
Show more names
Database identifiers
- CAS
112-71-0- PubChem CID
- 8208
- DTXSID
DTXSID3038725- ChEMBL
CHEMBL3184338- UNII
- GX615908HN
- EC Number
- 203-999-3
- Nikkaji
- J377H
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 12
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 5 · 5-6 °C(lit.)
- Boiling point
- 175 · 175-178 °C20 mm Hg(lit.)
- Density
- 0.932 g/mL · 0.932 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.460(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform
- form
- Liquid
- color
- Clear yellow
- Water Solubility
- insoluble
- BRN
- 1742640 · 1742640
- Dielectric constant
- 3.84 · 3.8399999999999999
- Stability
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C14H29Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
- InChIKey
- KOFZTCSTGIWCQG-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCBr
- CAS DataBase Reference
- 112 · 112-71-0(CAS DataBase Reference)
- FDA UNII
- 615908 HN · GX615908HN
- NIST Chemistry Reference
- 1 · Tetradecane, 1-bromo-(112-71-0)
- EPA Substance Registry System
- 1 · Tetradecane, 1-bromo- (112-71-0)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-36-24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29033036 · 29033036
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 4.3% (2 of 47) of reports.
Warning
H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Tetradecane, 1-bromo-
Status: Active Update: 16-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18555
Tetradecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29033036
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
Applications
Uses1-Bromotetradecane was used in the synthesis of tetradecylferrocene, cationic and zwitterionic gemini surfactants, and 9-tetradecylcarbazole. Also used for synthesis of metallomesogenic polymers based on bis[η1(N)-3,4-dialkyloxybenzylidene-4-dodecyloxyaniline]dichloropalladium(II) with octyl, decyl, dodecyl, tetradecyl and hexadecyl alkyl groups.
Preparation methods
Preparation1-Bromotetradecane is synthesized from 1-tetradecanol by bromination. The 1-tetradecanol was added to the reaction pot, and the sulfuric acid was added dropwise with stirring, and the stirring was continued for half an hour after the addition. Then add hydrobromic acid, heat to 99-101°C, and react for 8h. Cool to 30°C, stop stirring, stand for 12 hours, and separate the upper layer of oil, and adjust the pH to 8 with 10% sodium carbonate solution. The water layer was separated, the oily substance was washed twice with an equal volume of 50% ethanol, the washed oily substance was added with sodium carbonate, stirred intermittently, and dried for 24h. Filtration to obtain 1-bromotetradecane.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
Compound notes
Loading…