CAS 373-52-4 Bromofluoromethane (HCID 61108)

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Basic information

CAS: 373-52-4
Standard SMILES: FCBr
InChIKey: LHMHCLYDBQOYTO-UHFFFAOYSA-N
Molecular formula: CH2BrF
Average molar mass: 112.93 g/mol
Monoisotopic mass: 111.93239038

Names & identifiers

Preferred name: Bromofluoromethane
IUPAC: bromo(fluoro)methane
English name: Bromofluoromethane
Molecular formula: CH2BrF
Molecular weight: 112.93

Names & synonyms

Bromofluoromethane373-52-4METHANE, BROMOFLUORO-22205E7CEMDTXSID3074319RefChem:570351DTXCID4039310609-414-1bromo(fluoro)methaneFLUOROBROMOMETHANEMethylene, bromofluoro-MFCD00153077

Show more names

methane,bromofluoro-Bromofluoromethane98%Bromofluoromethane 98%bromofluoromethane CH2BrFFluorinated methyl bromideBROMOFLUOROMETHANE-PYRIDINIUM ADDUCT

fluoromethyl bromideCH2BrFUNII-22205E7CEMfluoro-bromomethaneFCH2BrMethane, bromofluoro-(6CI,7CI,8CI,9CI)SCHEMBL19378SCHEMBL459387

Database identifiers

CAS: 373-52-4、4539-11-1
PubChem CID: 61108
DTXSID: DTXSID3074319
UNII: 22205E7CEM
EC Number: 481-800-0、609-414-1
Nikkaji: J110.453E

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 3
Formal charge: 0
Complexity: 4.8

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: 17 · 17-18°C
Density: 1 · 1,76 g/cm3
refractive index: 1.375 · 1.3750 (estimate)
Flash point: None
Specific Heat Capacity: 0.44 J/ · Cp(gas): 0.44 J/(g·K), at 25℃
InChI: InChI=1S/CH2BrF/c2-1-3/h1H2
InChIKey: LHMHCLYDBQOYTO-UHFFFAOYSA-N
SMILES: C(Br)F
CAS DataBase Reference: 373 · 373-52-4(CAS DataBase Reference)
FDA UNII: 22205 E7CEM · 22205E7CEM
NIST Chemistry Reference: Methane, bromofluoro-(373-52-4)
EPA Substance Registry System: Bromofluoromethane (373-52-4)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H280 (33.3%): Contains gas under pressure; may explode if heated [Warning Gases under pressure]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P410+P403, P501, and P502 (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

Regulatory InformationStatus: Active Update: 21-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34246

Hazard Classes and CategoriesPress. Gas (Comp.) (33.3%)

Safety data

ridadr: 2810
risk_code: 36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS06
hazard_code: T
hazard_note: Highly Toxic
safety_code: 26-36/37/39
Hazard statements: H330-H420-H300-H310
Precautionary statements: P502-P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501

Chemistry & industry

Applications

UsesFluorobromomethane is a hydrocarbon derivative that can be used as a pharmaceutical intermediate, a pesticide intermediate, and a fluoromethylating agent.