CAS 140690-56-8 2,4-Bis(trifluoromethyl)benzyl bromide (HCID 518871)

Names & identifiers

Preferred name: 2,4-Bis(trifluoromethyl)benzyl bromide
IUPAC: 1-(bromomethyl)-2,4-bis(trifluoromethyl)benzene
English name: 2,4-Bis(trifluoromethyl)benzyl bromide
Molecular formula: C9H5BrF6
Molecular weight: 307.03

Names & synonyms

140690-56-82,4-Bis(trifluoromethyl)benzyl bromideDTXSID90333839RefChem:82223DTXCID00284929628-148-7SWFFFUJOWAJJCH-UHFFFAOYSA-N1-(Bromomethyl)-2,4-bis(trifluoromethyl)benzeneBENZENE, 1-(BROMOMETHYL)-2,4-BIS(TRIFLUOROMETHYL)-MFCD000103062,4-bis(trifluoromethyl)benzylbromide2,4-bis(trifluoromethyl)-1-(bromomethyl)benzene

Show more names

1772562,4-DI(TRIFLUOROMETHYL)BENZYL BROMIDE2,4-Bis(trifluoromethyl)benzylbromide98%2,4-Bis(trifluoromethyl)benzyl bromide 98%2,4-Bis(trifluoromethyl)benzyl bromide, 95%2,4-Bis(trifluoromethyl)benzyl bromide, 97+%

SCHEMBL627838CK1012SBB0709562,4-bis-trifluoromethyl-benzylbromideAKOS0158527562,4-bis-trifluoromethyl benzyl bromide2,4-bis-trifluoromethyl-benzyl bromidePS-9881

Database identifiers

CAS: 140690-56-8
PubChem CID: 518871
DTXSID: DTXSID90333839
EC Number: 628-148-7
Nikkaji: J2.652.113K

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 233

Physicochemical properties

Boiling point: 112 °C · 112°C 0,2mm
Density: 1.637 g/mL · 1.637 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.451(lit.)
Flash point: 130 °F · 130 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
form: Liquid
Specific Gravity: 1.637 · 1.637
color: Clear colorless to pale yellow
Sensitive: Lachrymatory
BRN: 7995492 · 7995492
InChI: 1S/C9H5BrF6/c10-4-5-1-2-6(8(11,12)13)3-7(5)9(14,15)16/h1-3H,4H2
InChIKey: SWFFFUJOWAJJCH-UHFFFAOYSA-N
SMILES: FC(F)(F)c1ccc(CBr)c(c1)C(F)(F)F
CAS DataBase Reference: 140690 · 140690-56-8(CAS DataBase Reference)
NIST Chemistry Reference: 2 · 2,4-Bis(trifluoromethyl)benzyl bromide(140690-56-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 226 · H226-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-34
Safety Statements: 16 · 16-26-27-36/37/39-45
RIDADR: 2920 · UN 2920 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Corrosive/Lachrymatory
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29039990 · 29039990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Skin · Flam. Liq. 3Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (88.6%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationBenzene, 1-(bromomethyl)-2,4-bis(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (88.6%)；Skin Corr. 1B (100%)

Regulatory information

Regulatory InformationBenzene, 1-(bromomethyl)-2,4-bis(trifluoromethyl)-: Does not have an individual approval but may be used under an appropriate group standard