CAS 45223-18-5 1,16-Dibromohexadecane (HCID 521177)

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Basic information

CAS: 45223-18-5
Standard SMILES: BrCCCCCCCCCCCCCCCCBr
InChIKey: OTFBUFWEFKVFFR-UHFFFAOYSA-N
Molecular formula: C16H32Br2
Average molar mass: 384.2 g/mol
Monoisotopic mass: 382.08708

Names & identifiers

Preferred name: 1,16-Dibromohexadecane
IUPAC: 1,16-dibromohexadecane
English name: 1,16-DIBROMOHEXADECANE
Molecular formula: C16H32Br2
Molecular weight: 384.23

Names & synonyms

1,16-Dibromohexadecane45223-18-5Hexadecane, 1,16-dibromo-DTXSID20334576RefChem:214168DTXCID30285666OTFBUFWEFKVFFR-UHFFFAOYSA-NMFCD00039195C16H32Br2SCHEMBL688421AKOS017342823CS-0197236

Show more names

HEXADECAMETHYLENE DIBROMIDE1,16-Dibromohexadecane - [D94042]1,16-DIBROMOHEXADECANE ISO 9001：2015 REACH

AMY37911116-DibromohexadecaneFT-0606054orb3176690BBL102559STL556362AS-93701SY287109

Database identifiers

CAS: 45223-18-5
PubChem CID: 521177
DTXSID: DTXSID20334576
EC Number: 111-186-9
Nikkaji: J89.511C

Properties

Computed structural properties

XLogP: 8.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 15
Heavy atoms: 18
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 56.2 · 56.2-56.7 °C
Boiling point: 397.8 · 397.8±10.0 °C(Predicted)
Density: 1.204 · 1.204±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313