1-Bromododecane

HCID 8919CAS 143-15-7

Basic information

Standard SMILES
CCCCCCCCCCCCBr
InChIKey
PBLNBZIONSLZBU-UHFFFAOYSA-N
Molecular formula
C12H25Br
Average molar mass
249.23 g/mol
Monoisotopic mass
248.1139629

Names & identifiers

Preferred name
1-Bromododecane
IUPAC
1-bromododecane
English name
1-Bromododecane
Molecular formula
C12H25Br
Molecular weight
249.23

Names & synonyms

1-Bromododecane143-15-7Lauryl bromideDodecyl bromideDodecane, 1-bromo-DTXSID2044395DTXCID002439590T93TX09DNSC-6786RefChem:75159205-587-9n-Dodecyl bromide
Show more names
1-DodecylbromideBROMODODECANLaurlybromideJACS-143-15-7Lauroylbromide1-Dodecylbromid1-bromo-dodecan
Dodecane, bromo-bromododecane1-bromo dodecane1-bromo-dodecaneC12H25Br1-BROMO-N-DODECANEMFCD00000225NSC 6786

Database identifiers

CAS
143-15-7
PubChem CID
8919
DTXSID
DTXSID2044395
ChEMBL
CHEMBL3184907
UNII
90T93TX09D
EC Number
205-587-9
Nikkaji
J2.029J

Properties

Computed structural properties

XLogP
7.1
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
10
Heavy atoms
13

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
Density1.038 @25 °C
Physical Description · 2 items

Liquid

Liquid; [Merck Index] Colorless liquid with a weak odor; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
11 · −11-−9 °C(lit.)
Boiling point
134 · 134-135 °C6 mm Hg(lit.)
Density
1.04 g/mL · 1.040 g/mL at 20 °C
vapor density
8.6 · 8.6 (vs air)
refractive index
20 · n20/D 1.458(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 22.9% (58 of 253) of reports.

Danger

H304 (41.1%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 253 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

Chemical: Dodecane, 1-bromo-

Dodecane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecane, 1-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 29-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10302

Dodecane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See 1-Bromopropane and 2-Bromopentane.
Hazard Classes and CategoriesAsp. Tox. 1 (41.1%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Toxicology

Adverse EffectsNeurotoxin - Acute solvent syndrome

Safety data

F
19
PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
hs_code
29033036
risk_code
36/37/38

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 250,000 - <550,000 lb
Consumer UsesAbrasives
Industry UsesAbrasives
General Manufacturing Information · 2 items

Mining (except Oil and Gas) and support activities

Dodecane, 1-bromo-: ACTIVE

Applications · 3 items

Uses1-Bromododecane is used as a solvent. It is used as an intermediate to manufacture surfactant, pharmaceuticals and other organic compounds.

Uses1-Bromododecane have assumed considerable importance as starting materials for the production of many types of organic derivatives. The major use for 1-Bromododecane with 12 – 16 carbon atomsisinthe production of alkyldimethylamines by the nucleophilic displacement of bromide ion with dimethylamine. These amines are used as intermediates in the manufacture of fatty amine oxides and alkyl dimethyl benzyl quaternary ammonium salts, which are used in a wide range of products because of their biological (germicidal) or physical (cationic) properties. Minor amounts of 1-Bromododecane are used to produce insect pheromones, phasetransfer catalysts, and other useful specialty chemicals.

General Description1-Bromododecane is antimicrobial agent.

Preparation methods · 1 item

Preparation1-Bromododecane is synthesized by the action of 1-dodecanol and hydrobromic acid. The 1-dodecanol is added to the enameled glass reaction pot, stirred and cooled, and sulfuric acid is slowly added. Stir for 1h, then add hydrobromic acid. The temperature is gradually increased to 90-95℃, and the reaction is stirred for 8h. After the reaction, the temperature is lowered to 30℃ and left for 8h. The acid layer is separated, and the oil layer is adjusted to pH 8 with dilute alkali solution, and the alkali solution is separated and washed with 50% ethanol. Distill under reduced pressure and collect 140-200℃ (3.33kPa) fractions to obtain refined 1-bromododecane.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

192 records

Linked notes

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