CAS 693-67-4 1-Bromoundecane (HCID 12744)

Names & identifiers

Preferred name: 1-Bromoundecane
IUPAC: 1-bromoundecane
English name: 1-Bromoundecane
Molecular formula: C11H23Br
Molecular weight: 235.2

Names & synonyms

1-BROMOUNDECANEUndecyl bromiden-Undecyl bromideUndecane, 1-bromo-n-Undecyl-1-bromideDTXSID2049349DTXCID9029308EINECS 211-757-3Undecane, 1bromoRefChem:75183211-757-3IKPSIIAXIDAQLG-UHFFFAOYSA-N

Show more names

Undecylbromid1-Bromundecan1-bromo-undecan1-Undecylbromide1-Bromoundecanolundecane,1-bromo-

693-67-4Hendecyl Bromide1-bromo-undecanebromoundecaneundecylbromide1-BROMO UNDECANEMFCD00000223LJV3NK56M6

Database identifiers

CAS: 693-67-4
PubChem CID: 12744
DTXSID: DTXSID2049349
ChEMBL: CHEMBL3188046
UNII: LJV3NK56M6
EC Number: 211-757-3
Nikkaji: J538J

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 9
Heavy atoms: 12
Formal charge: 0
Complexity: 71.4

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: 9 °C · −9 °C(lit.)
Boiling point: 137 · 137-138 °C18 mm Hg(lit.)
Density: 1.054 g/mL · 1.054 g/mL at 25 °C(lit.)
vapor density: 8.2 · 8.2 (vs air)
refractive index: 20 · n20/D 1.457(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
form: Liquid
color: Clear colorless to pale yellow
Water Solubility: Insoluble in water.
BRN: 1098390 · 1098390
Dielectric constant: 4.73 · 4.7300000000000004
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChIKey: IKPSIIAXIDAQLG-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCBr
CAS DataBase Reference: 693 · 693-67-4(CAS DataBase Reference)
FDA UNII: 3 NK56M6 · LJV3NK56M6
EPA Substance Registry System: 1 · Undecane, 1-bromo- (693-67-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29033919 · 29033919
Storage Class: 10 · 10 - Combustible liquids

Safety & regulation

GHS classification

GHS Classification · 4 items

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 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See Undecane. See Lauryl bromide.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29033919
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26
Storage Class: 10 - Combustible liquids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationUndecane, 1-bromo-: ACTIVE

Applications

Uses1-Bromoundecane is used in the preparation of Grignard reagent by reacting with Mg in THF (tetrahydrofuran). It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.