(8-Bromooctyl)benzene

HCID 563758

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Basic information

CAS: 54646-75-2
Standard SMILES: BrCCCCCCCCc1ccccc1
InChIKey: XGBMCFCZEKCCDJ-UHFFFAOYSA-N
Molecular formula: C14H21Br
Average molar mass: 269.22 g/mol
Monoisotopic mass: 268.08266277

Names & identifiers

Preferred name: (8-Bromooctyl)benzene
IUPAC: 8-bromooctylbenzene
English name: 1-Bromo-8-phenyloctane
Molecular formula: C14H21Br
Molecular weight: 269.22

Names & synonyms

(8-Bromooctyl)benzene54646-75-28-bromooctylbenzeneBenzene, (8-bromooctyl)-DTXSID80969924RefChem:209880DTXCID701397467XGBMCFCZEKCCDJ-UHFFFAOYSA-N1-Bromo-8-phenyloctane1-Bromo-8-phenyl-octaneMFCD010751788-phenyloctyl bromide

Show more names

RARECHEM AH CK 00481-Bromo-8-phenyloctane 95+%1-BROMO-8-PHENYL-OCTANE >97%(8-Bromooctyl)benzene - [B90306]

SCHEMBL3310359AKOS015996534PS-9900(8-Bromooct-1-yl)benzeneCS-0313170D86671(8-Bromo-octyl)-benzeneA830285

Database identifiers

CAS: 54646-75-2
PubChem CID: 563758
DTXSID: DTXSID80969924
EC Number: 671-045-7
Nikkaji: J144.412C

Properties

Computed structural properties

XLogP: 6.5
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 127

Physicochemical properties

Boiling point: 185 · 185-187 °C(Press: 12 Torr)
Density: 1.148 · 1.148±0.06 g/cm3(Predicted)
form: liquid
color: Colourless
CAS DataBase Reference: 54646 · 54646-75-2(CAS DataBase Reference)
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 301 · H301-H311-H331-H341
Precautionary statements: 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2903998090 · 2903998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2903998090
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: Xi
hazard_note: Irritant
Hazard statements: H301-H311-H331-H341
Precautionary statements: P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501