CAS 407-97-6 Pentane, 1-bromo-5-fluoro- (HCID 120236)

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Basic information

CAS: 407-97-6
Standard SMILES: FCCCCCBr
InChIKey: GMYIZICPHREVDH-UHFFFAOYSA-N
Molecular formula: C5H10BrF
Average molar mass: 169.04 g/mol
Monoisotopic mass: 167.99499064

Names & identifiers

Preferred name: Pentane, 1-bromo-5-fluoro-
IUPAC: 1-bromo-5-fluoropentane
English name: 1-Bromo-5-fluoropentane
Molecular formula: C5H10BrF
Molecular weight: 169.04

Names & synonyms

1-Bromo-5-fluoropentane407-97-6Pentane, 1-bromo-5-fluoro-5-Fluoroamyl bromideBRN 1697258DTXSID401936824-01-00-00313 (Beilstein Handbook Reference)RefChem:859890DTXCID80116173822-081-9MFCD017093951-bromo-5-fluoro-pentane

Show more names

5-BroMopentyl fluoride5-FLUOROPENTYL BROMIDE1-fluoro-5-broMopentane1-BROMO-5-FLOUROPENTANEPentane,1-broMo-5-fluoro-1-Bromo-5-Fluoropentane,>97%1-bromo-5-fluoropentane(SALTDATA: FREE)1-Bromo-5-fluoropentane 5c ,5f precursor

C5H10BrFfluoropentyl bromideSCHEMBL1798324SCHEMBL25278743GMYIZICPHREVDH-UHFFFAOYSA-NALBB-022599GEO-004511-Bromo-5-fluoropentane, AldrichCPR

Database identifiers

CAS: 407-97-6
PubChem CID: 120236
DTXSID: DTXSID40193682
EC Number: 822-081-9

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 31.3

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 162 ℃ · 162℃
Density: 1.36 · 1.360
RTECS: 9810000 · RZ9810000
refractive index: 1.4406 · 1.4406
storage temp.: Sealed in dry,Room Temperature
form: Liquid
color: Colorless
Water Solubility: Soluble in methanol (in methanol). Slightly soluble in water.
InChI: InChI=1S/C5H10BrF/c6-4-2-1-3-5-7/h1-5H2
InChIKey: GMYIZICPHREVDH-UHFFFAOYSA-N
SMILES: C(Br)CCCCF
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (33.3%)

Safety data

wgk: WGK 3
ridadr: 1993
hs_code: 2903793090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: 3
Storage Class: 10 - Combustible liquids
packing_group: Ⅲ
target organs: Respiratory system
Hazard statements: H302-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338