CAS 77613-65-1 2-(Bromomethyl)-1,1-difluorocyclopropane (HCID 2761402)

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Basic information

CAS: 77613-65-1
Standard SMILES: FC1(F)CC1CBr
InChIKey: TUDJNSKRXIUOAJ-UHFFFAOYSA-N
Molecular formula: C4H5BrF2
Average molar mass: 170.98 g/mol
Monoisotopic mass: 169.9542687

Names & identifiers

Preferred name: 2-(Bromomethyl)-1,1-difluorocyclopropane
IUPAC: 2-(bromomethyl)-1,1-difluorocyclopropane
English name: 1-BROMOMETHYL-2,2-DIFLUOROCYCLOPROPANE
Molecular formula: C4H5BrF2
Molecular weight: 170.98

Names & synonyms

2-(bromomethyl)-1,1-difluorocyclopropaneRefChem:459896689-197-877613-65-11-Bromomethyl-2,2-difluorocyclopropaneMFCD067977492,2-Difluorocyclopropylmethyl bromideC4H5BrF22-Bromomethyl-1,1-difluorocyclopropane2-(bromomethyl)-1,1-difluoro-cyclopropaneCyclopropane, 2-(bromomethyl)-1,1-difluoro-SCHEMBL348415

Show more names

1-Bromomethyl-2,2-difluorocyclopropane, 97%,(2,2-Difluorocycloprop-1-yl)methyl bromide2-(2-BroMo-ethyl)-1,1-difluoro-cyclopropane

DTXSID80375748bromomethyl-2,2-difluorocyclopropaneAKOS005259623AB29725AT12585FS-62331-Bromomethyl-2,2-difluoro-cyclopropane2-(Bromomethyl)-11-difluorocyclopropane

Database identifiers

CAS: 77613-65-1
PubChem CID: 2761402
DTXSID: DTXSID80375748
EC Number: 689-197-8

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 81.8

Physicochemical properties

Boiling point: 108 · 108-109°C
Density: 1.69 g/ml · 1.69g/ml
storage temp.: -20 °C, · -20°C, stored under nitrogen
form: liquid
color: Clear colourless
InChI: InChI=1S/C4H5BrF2/c5-2-3-1-4(3,6)7/h3H,1-2H2
InChIKey: TUDJNSKRXIUOAJ-UHFFFAOYSA-N
SMILES: C1(F)(F)CC1CBr
CAS DataBase Reference: 77613 · 77613-65-1
UNSPSC Code: 12352200 · 12352200
NACRES: 21 · NA.21
Symbol(GHS): 2 · GHS02,GHS06,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H312-H331-H302
Precautionary statements: 210 · P210-P261-P280-P303+P361+P353-P405-P501a
Hazard Codes: Xn

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (75%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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 (75%)

Safety data

wgk: 3
ridadr: UN1993
hs_code: 2902190000
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS02,GHS06,GHS07
hazard_code: Xn
hazard_class: 3
Storage Class: 11 - Combustible Solids
Hazard statements: H226-H312-H331-H302
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 Oral
Precautionary statements: P210-P261-P280-P303+P361+P353-P405-P501a