Basic information
- CAS
13187-99-0- Standard SMILES
CCCCCCCCCCC(C)Br- InChIKey
GIUUCQVKMWBSRT-UHFFFAOYSA-N- Molecular formula
- C12H25Br
- Average molar mass
- 249.23 g/mol
- Monoisotopic mass
- 248.11396
Overview
2-Bromododecane has been reported in Vernonanthura patens with data available.
Names & identifiers
- Preferred name
- 2-Bromododecane
- IUPAC
- 2-bromododecane
- English name
- 2-Bromododecane
- Molecular formula
- C12H25Br
- Molecular weight
- 249.23
Names & synonyms
2-Bromododecane13187-99-0EINECS 236-142-7DTXSID40927848NSC 97571RefChem:467242DTXCID401356628236-142-7Dodecane, 2-bromo-2-Bromo dodecane2-bromo-dodecaneSCHEMBL1001129
Show more names
2-BROMODODECANE, TECH., 85%2-Bromododecane technical grade, 85%
SCHEMBL11656574SCHEMBL27883842SCHEMBL27907214NAA18799NSC97571NSC-97571AKOS0091567152-Bromododecane, technical grade, 85%
Database identifiers
- CAS
13187-99-0- PubChem CID
- 98299
- DTXSID
DTXSID40927848- EC Number
- 236-142-7
- Nikkaji
- J149.816I
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 91.1
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -96 °C · -96 °C (lit.)
- Boiling point
- 130 °C/6 · 130 °C/6 mmHg (lit.)
- Density
- 1.02 g/mL · 1.02 g/mL at 25 °C (lit.)
- vapor pressure
- 0.29 psi · 0.29 psi ( 20 °C)
- refractive index
- 20 · n20/D 1.4555(lit.)
- Flash point
- 230 °F · >230 °F
- InChI
- 1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
- InChIKey
- GIUUCQVKMWBSRT-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCC(C)Br
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
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]
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 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses2-Bromododecane was used as growth substrate to investigate the fatty acid composition of cellular lipids of Rhodococcus rhodochrous NCIMB 13064 grown on various long-chain haloalkanes. It was used to compare the in vitro methods:yeast resazurin and 3-[4,5-dimethylthiazol-2-yl]-2,5-diphenyltetrazolium bromide assay for determining the acute toxicity of halogenated alkanes.
Suppliers6 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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