Propane, 1-bromo-3-fluoro-

HCID 67699

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Basic information

CAS: 352-91-0
Standard SMILES: FCCCBr
InChIKey: VNHWPVLQRKKKRY-UHFFFAOYSA-N
Molecular formula: C3H6BrF
Average molar mass: 140.98 g/mol
Monoisotopic mass: 139.96369051

Overview

structure in first source

Names & identifiers

Preferred name: Propane, 1-bromo-3-fluoro-
IUPAC: 1-bromo-3-fluoropropane
English name: 1-BROMO-3-FLUOROPROPANE
Molecular formula: C3H6BrF
Molecular weight: 140.98

Names & synonyms

1-Bromo-3-fluoropropane352-91-0Propane, 1-bromo-3-fluoro-DTXSID50188701RefChem:75110DTXCID70111192631-536-91-bromo-3-fluoro-propane3-Fluoropropyl bromideC3H6BrFMFCD000392871-Fluoro-3-bromopropane

Show more names

3-fluoropropylbromide1-bromo-3-fluoro-propan1-Bromo-3-fluoropropane98%Propane,1-broMo-3-fluoro- (6CI,8CI,9CI)1-Bromo-3-fluoropropane - ozone depleter1-BROMO-3-FLUOROPROPANE ISO 9001：2015 REACH

3-Bromo-1-fluoropropaneBRN 17310893-Fluorobromopropane3-fluoro-1-bromopropane1-fluoro-3-bromo-propane3-Bromo-1-fluoro propane4-01-00-00210 (Beilstein Handbook Reference)SCHEMBL360998

Database identifiers

CAS: 352-91-0
PubChem CID: 67699
DTXSID: DTXSID50188701
EC Number: 631-536-9
Nikkaji: J568.509E

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 5
Formal charge: 0
Complexity: 16.4

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Boiling point: 99 · 99-101°C
Density: 1.538 · 1.538
refractive index: 1.4295 · 1.4295
Flash point: 23 · 23
storage temp.: -20 °C · Storage temp. -20°C
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C3H6BrF/c4-2-1-3-5/h1-3H2
InChIKey: VNHWPVLQRKKKRY-UHFFFAOYSA-N
SMILES: C(Br)CCF
CAS DataBase Reference: 352 · 352-91-0
EWG's Food Scores: 1 · 1
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 420 · H420-H226-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P502
Hazard Codes: F,T,N,Xn
Risk Statements: 10 · 10-36/37/38-59-22-20/21/22
Safety Statements: 23 · 23-36/37/39-59-26-36-16
RIDADR: 1993 · UN 1993 3/PG 3
RTECS: 4122500 · TX4122500
Hazard Note: Flammable/Toxic

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (97.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501, and P502 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.