3,4-Difluorobenzophenone

HCID 569908

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Basic information

CAS: 85118-07-6
Standard SMILES: O=C(c1ccccc1)c1ccc(F)c(F)c1
InChIKey: ZJTYHSBOZAQQGF-UHFFFAOYSA-N
Molecular formula: C13H8F2O
Average molar mass: 218.2 g/mol
Monoisotopic mass: 218.05432132

Names & identifiers

Preferred name: 3,4-Difluorobenzophenone
IUPAC: (3,4-difluorophenyl)-phenylmethanone
English name: 3,4-Difluorobenzophenone
Molecular formula: C13H8F2O
Molecular weight: 218.2

Names & synonyms

3,4-Difluorobenzophenone85118-07-6EINECS 285-659-4DTXSID80234245RefChem:486035DTXCID80156736285-659-4(3,4-Difluorophenyl)(phenyl)methanoneMFCD00009892(3,4-difluorophenyl)-phenylmethanoneMethanone, (3,4-difluorophenyl)phenyl-(3,4-Difluorophenyl)phenylmethanone

Show more names

3,4-Difluorobenzophenone98%3,4-Difluorobenzophenone>(3,4-Difluorophenyl)phenylmethanone(3,4-Difluorophenyl)(phenyl)methanone - [D89255]

3,4-difluorophenyl phenyl ketone(3,4-difluorophenyl)-phenyl-methanoneSCHEMBL332679SCHEMBL56849083,4-Difluorobenzophenone, 98%SBB067425AKOS005257890AC-1570

Database identifiers

CAS: 85118-07-6
PubChem CID: 569908
DTXSID: DTXSID80234245
EC Number: 285-659-4
Nikkaji: J307.999F

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 53 · 53-55 °C(lit.)
Boiling point: 314.2 · 314.2±32.0 °C(Predicted)
Density: 1.2543 · 1.2543 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light yellow to Light orange
BRN: 7808356 · 7808356
InChI: 1S/C13H8F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H
InChIKey: ZJTYHSBOZAQQGF-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1F)C(=O)c2ccccc2
CAS DataBase Reference: 85118 · 85118-07-6(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29147000 · 29147000
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a