CAS 3344-70-5 1,12-Dibromododecane (HCID 18766)

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Basic information

CAS: 3344-70-5
Standard SMILES: BrCCCCCCCCCCCCBr
InChIKey: ZJJATABWMGVVRZ-UHFFFAOYSA-N
Molecular formula: C12H24Br2
Average molar mass: 328.13 g/mol
Monoisotopic mass: 326.02447497

Names & identifiers

Preferred name: 1,12-Dibromododecane
IUPAC: 1,12-dibromododecane
English name: 1,12-Dibromododecane
Molecular formula: C12H24Br2
Molecular weight: 328.13

Names & synonyms

1,12-DibromododecaneDODECANE, 1,12-DIBROMO-alpha,omega-DibromododecaneBRN 1742763EINECS 222-096-54-01-00-00503 (Beilstein Handbook Reference)DTXSID4062985RefChem:71191DTXCID9038686222-096-5ZJJATABWMGVVRZ-UHFFFAOYSA-N3344-70-5

Show more names

1,12-Dibromododecane 98%DODECANE DIBROMIDE1.12-DibroModecane1,12-Dibromododecane >DODECAMETHYLENE DIBROMIDE1,12-Dibromododecane ,95%1,12-Dibromododecane, 96 %

Dodecamethylene dibromideMFCD00000226C12H24Br21, 12-dibromododecane1,12-dibromo-dodecaneDM7XY6W5RZSCHEMBL1290691,12-Dibromododecane, 98%

Database identifiers

CAS: 3344-70-5
PubChem CID: 18766
DTXSID: DTXSID4062985
UNII: DM7XY6W5RZ
EC Number: 222-096-5
Nikkaji: J711K

Properties

Computed structural properties

XLogP: 6.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 11
Heavy atoms: 14
Formal charge: 0
Complexity: 82.3

Physicochemical properties

Melting point: 38 · 38-42 °C (lit.)
Boiling point: 215 °C/15 · 215 °C/15 mmHg (lit.)
Density: 1.395 · 1.3950 (estimate)
refractive index: 1.4765 · 1.4765 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
solubility: Soluble in hot methanol- almost transparency.
form: Crystalline Solid
color: Off-white to pale brown
BRN: 1742763 · 1742763
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: InChI=1S/C12H24Br2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H2
InChIKey: ZJJATABWMGVVRZ-UHFFFAOYSA-N
SMILES: C(Br)CCCCCCCCCCCBr
CAS DataBase Reference: 3344 · 3344-70-5(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (4 of 8) of reports.

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 22-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23594

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: JR2295000
hs_code: 29033036
Toxicity: mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05707,
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids