Sec-octyl bromide, (+-)-

HCID 79046

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 557-35-7
Standard SMILES: CCCCCCC(C)Br
InChIKey: FTJHYGJLHCGQHQ-UHFFFAOYSA-N
Molecular formula: C8H17Br
Average molar mass: 193.12 g/mol
Monoisotopic mass: 192.05136

Names & identifiers

Preferred name: Sec-octyl bromide, (+-)-
IUPAC: 2-bromooctane
English name: 2-Bromooctane
Molecular formula: C8H17Br
Molecular weight: 193.12

Names & synonyms

2-Bromooctane557-35-7Octane, 2-bromo-sec-Octyl bromide2-Octyl bromide1-Methylheptyl bromide2-Bromoooctanesec-Octyl bromide (VAN)K51199TJ7SNSC 8060NSC-8060EINECS 209-171-8

Show more names

octane,2-bromo-2-bromo-octan2-Bromooctane >2-OCTYL BROMIDE 97%Octane,2-bromo-,(±)-SEC-OCTYL BROMIDE 97%

SEC-OCTYL BROMIDE [MI]DTXSID90880631RefChem:884777Sec-octyl bromide, (+-)-(+-)-2-BROMOOCTANEDTXCID10214196209-171-8MFCD00040823

Database identifiers

CAS: 557-35-7
PubChem CID: 79046
DTXSID: DTXSID90880631
UNII: K51199TJ7S
EC Number: 209-171-8
Nikkaji: J10.694A

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 5
Heavy atoms: 9
Formal charge: 0
Complexity: 52

Experimental & physicochemical properties

Kovats Retention Index1093

Physicochemical properties

Boiling point: 188 · 188-189°C
Density: 1.093 · 1.093
refractive index: 1.449 · 1.449
Flash point: 65 °C · 65°C
storage temp.: Store at room temperature
form: clear liquid
color: Colorless to Light yellow
Merck: 14 · 14,6765
Stability: Stable, but may be light sensitive. Incompatible with strong oxidizing agents. Combustible.
CAS DataBase Reference: 557 · 557-35-7(CAS DataBase Reference)
FDA UNII: 51199 TJ7S · K51199TJ7S
NIST Chemistry Reference: 2 · Octane, 2-bromo-(557-35-7)
EPA Substance Registry System: 2 · Octane, 2-bromo- (557-35-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Safety Statements: 23 · 23-24/25
TSCA: TSCA listed
HS Code: 2903.19 · 2903.19.6050

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+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%)；Eye Irrit. 2 (100%)

Safety data

tsca: TSCA listed
hs_code: 2903.19.6050
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Hazard statements: H227-H315-H319
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501