CAS 35354-37-1 1-Bromo-5-methylhexane (HCID 520726)

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Basic information

CAS: 35354-37-1
Standard SMILES: CC(C)CCCCBr
InChIKey: XAOFMTDKQYEOES-UHFFFAOYSA-N
Molecular formula: C7H15Br
Average molar mass: 179.1 g/mol
Monoisotopic mass: 178.03571258

Names & identifiers

Preferred name: 1-Bromo-5-methylhexane
IUPAC: 1-bromo-5-methylhexane
English name: 1-BROMO-5-METHYLHEXANE
Molecular formula: C7H15Br
Molecular weight: 179.1

Names & synonyms

1-Bromo-5-methylhexane35354-37-1hexane, 1-bromo-5-methyl-DTXSID60334439RefChem:75146DTXCID70285529InChI=1/C7H15Br/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2HXAOFMTDKQYEOES-UHFFFAOYSA-NIsoheptyl BromideMFCD000416741-bromo-5-methyl-hexane5-methylhexyl bromide

Show more names

TIMTEC-BB SBB008833

1-Bromo-5-methyl hexaneIsoheptylbromid5-methylhexylbromideSCHEMBL932388SCHEMBL3861308KBA35437SBB008833AKOS009158636

Database identifiers

CAS: 35354-37-1
PubChem CID: 520726
DTXSID: DTXSID60334439
EC Number: 680-720-5
Nikkaji: J563.565I

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 41.7

Physicochemical properties

Melting point: 162 · 162-163°C
Boiling point: 162 · 162-163°C
Density: 1 · 1,103 g/cm3
refractive index: 1.4485 · 1.4485
Flash point: 57 °C · 57°C
storage temp.: 2 · 2-8°C
solubility: Acetonitrile (Slightly), Chloroform (Slightly)
form: Oil
color: Colourless
Water Solubility: Not miscible with water.
BRN: 1731802 · 1731802
InChI: InChI=1S/C7H15Br/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2H3
InChIKey: XAOFMTDKQYEOES-UHFFFAOYSA-N
SMILES: C(Br)CCCC(C)C
CAS DataBase Reference: 35354 · 35354-37-1(CAS DataBase Reference)
Symbol(GHS): 2 · GHS02,GHS07

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

ridadr: 1993
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS02,GHS07
safety_code: 26-36
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319-H335
Precautionary statements: P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a