3-Bromooctane

HCID 79138
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
999-64-4
Standard SMILES
CCCCCC(Br)CC
InChIKey
OELHQHILWOIUSL-UHFFFAOYSA-N
Molecular formula
C8H17Br
Average molar mass
193.12 g/mol
Monoisotopic mass
192.05136

Names & identifiers

Preferred name
3-Bromooctane
IUPAC
3-bromooctane
English name
3-Bromooctane
Molecular formula
C8H17Br
Molecular weight
193.12

Names & synonyms

3-BromooctaneOctane, 3-bromo-EINECS 213-664-3DTXSID20883635RefChem:93251DTXCID301023145213-664-3OELHQHILWOIUSL-UHFFFAOYSA-N999-64-4MFCD00039185SCHEMBL598141SCHEMBL2760937
Show more names
3-bromo-octan3-Octyl bromide3-Bromooctane,95%
SCHEMBL7873052SCHEMBL18660458SCHEMBL28361120AKOS009157595DB-057815NS00042690

Database identifiers

CAS
999-64-4
PubChem CID
79138
DTXSID
DTXSID20883635
EC Number
213-664-3
Nikkaji
J217.096E

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
5
Heavy atoms
9

Experimental & physicochemical properties

Kovats Retention Index1053

Physicochemical properties

Boiling point
84.4 · 84.4-85.1℃ (20 Torr)
Density
1.1024 · 1.1024 (estimate)
refractive index
1.4582 · 1.4582 (589.3 nm 20℃)
EPA Substance Registry System
3 · Octane, 3-bromo- (999-64-4)
TSCA
TSCA listed

Safety & regulation

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationOctane, 3-bromo-: INACTIVE

Upstream & downstream products

Suppliers14 total

南京予善化工有限公司025-025-85281586 +86-18105181009
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617

Related reactions

2 records
New reaction record

Compound notes

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